N-(2-(Diethylamino)ethyl)-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide

C14H23N3O2CAS 356068-86-5265.36 g/mol

Open in Covalent MOL file
NNHONHO
AldehydeAmideTertiary amine

Properties

Molecular formula
C14H23N3O2
Molar mass
265.36 g/mol
Exact mass
265.1790 Da
logP
1.52Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
356068-86-5
SMILES
CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=O)C
InChIKey
BRZYBFNUINXZMJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H23N3O2/c1-5-17(6-2)8-7-15-14(19)13-10(3)12(9-18)16-11(13)4/h9,16H,5-8H2,1-4H3,(H,15,19)

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Work with N-(2-(Diethylamino)ethyl)-5-formyl-2,4-dimethyl-1H-pyrrole-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

Ethyl 2-formyl-3,5-dimethylpyrrole-4-carboxylate2199-59-948 % similar 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid253870-02-947 % similar Sunitinib malate341031-54-745 % similar Toceranib phosphate874819-74-641 % similar Procainamide hydrochloride614-39-139 % similar 2-Chloro-N-[2-(diethylamino)ethyl]-4-quinolinecarboxamide87864-14-034 % similar Sunitinib557795-19-432 % similar N'-(2-Diethylaminoethyl)ethane-1,2-diamine24426-16-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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