(4S)-4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-1,4-dihydro-2,8-dimethyl-1,6-naphthyridine-3-carboxamide

C₂₁H₂₂N₄O₃CAS 1050477-31-0378.43 g/mol

Open in Covalent MOL file

Alkene Ether Nitrile Secondary amine

Properties

Molecular formula: C₂₁H₂₂N₄O₃
Molar mass: 378.43 g/mol
Exact mass: 378.1692 Da
logP: 4.04Crippen estimate
Polar surface area: 111.3 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H360 May damage fertility or the unborn child66.7% of notifiers
H360FD May damage fertility; May damage the unborn child33.3% of notifiers
H362 May cause harm to breast-fed children33.3% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure33.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P263, P264, P270, P273, P280, P301+P316, P318, P319, P321, P330, P391, P405, P501

Identifiers

CAS number

1050477-31-0

SMILES

CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(=N)O)=C(C)N2

InChIKey

BTBHLEZXCOBLCY-QGZVFWFLSA-N

InChI

InChI=1S/C21H22N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10,17,25H,5H2,1-4H3,(H2,23,26)/t17-/m1/s1

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Names and synonyms

3 names

1,6-Naphthyridine-3-carboxamide, 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-1,4-dihydro-2,8-dimethyl-, (4S)-
BAY 94-8862
Finerenone

Work with (4S)-4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-1,4-dihydro-2,8-dimethyl-1,6-naphthyridine-3-carboxamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Ethoxy-4-methoxybenzonitrile60758-86-338 % similar 3-Methoxy-4-methylbenzonitrile3556-60-334 % similar 3,4-Dimethoxybenzonitrile2024-83-130 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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