Methyl 1-(2,3-dihydroxypropyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylate

C₁₇H₁₉NO₆CAS 1206102-07-9333.34 g/mol

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Alcohol Ester Ether

Properties

Molecular formula: C₁₇H₁₉NO₆
Molar mass: 333.34 g/mol
Exact mass: 333.1212 Da
logP: 0.57Crippen estimate
Polar surface area: 98.0 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 7

Identifiers

CAS number

1206102-07-9

SMILES

COC(=O)c1c(OCc2ccccc2)c(=O)ccn1CC(O)CO

InChIKey

JUVSRACZYLMJQD-UHFFFAOYSA-N

InChI

InChI=1S/C17H19NO6/c1-23-17(22)15-16(24-11-12-5-3-2-4-6-12)14(21)7-8-18(15)9-13(20)10-19/h2-8,13,19-20H,9-11H2,1H3

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Names and synonyms

2 names

2-Pyridinecarboxylic acid, 1-(2,3-dihydroxypropyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-, methyl ester
Methyl 1-(2,3-dihydroxypropyl)-4-oxo-3-[(phenylmethyl)oxy]-1,4-dihydro-2-pyridinecarboxylate

Work with Methyl 1-(2,3-dihydroxypropyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylate

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-(Benzyloxy)-1-(2,3-dihydroxypropyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid1206102-06-874 % similar Dimethyl 3-(benzyloxy)-4-oxo-4H-pyran-2,5-1246616-66-940 % similar 5-[[[(2,4-Difluorophenyl)methyl]amino]carbonyl]-1-(2,2-dimethoxyethyl)-1,4-dihydro-4-oxo-3-(phenylmethoxy)-2-pyridinecarboxylic acid methyl ester1229006-21-639 % similar 3-(Benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid119736-16-236 % similar 3-(Benzyloxy)-1,2-propanediol13071-59-536 % similar (-)-3-Benzyloxy-1,2-propanediol17325-85-836 % similar 3-(Benzyloxy)-1,2-propanediol4799-67-136 % similar N-[(Phenylmethoxy)carbonyl]-L-serine methyl ester1676-81-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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