N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide

C14H13ClN2O3 — CID 138042614

IUPACN-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NC[C@@H](O)c1ccc(Cl)cc1)c1cc[nH]c(=O)c1
InChIInChI=1S/C14H13ClN2O3/c15-11-3-1-9(2-4-11)12(18)8-17-14(20)10-5-6-16-13(19)7-10/h1-7,12,18H,8H2,(H,16,19)(H,17,20)/t12-/m1/s1
InChIKeyATKHIJYZKCQHNF-GFCCVEGCSA-N
MW292.72 g/mol
LogP1.49
Rot. Bonds4

About N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide

N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 138042614) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID138042614
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC NameN-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NC[C@@H](O)c1ccc(Cl)cc1)c1cc[nH]c(=O)c1
InChIInChI=1S/C14H13ClN2O3/c15-11-3-1-9(2-4-11)12(18)8-17-14(20)10-5-6-16-13(19)7-10/h1-7,12,18H,8H2,(H,16,19)(H,17,20)/t12-/m1/s1
InChIKeyATKHIJYZKCQHNF-GFCCVEGCSA-N
XLogP1.49
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 42947632
N-(2-chloro-2-phenylethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 114039911
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95967246
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indole-7-carboxamide
CID 111477059
4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
N-(2,2-dicyclopropylethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257672
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methylsulfonylbenzamide
CID 47022574
3-methyl-2-[[(2-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
CID 114039657
3-(4-chlorophenyl)-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-pyrazole-5-carboxamide
CID 112814117

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide (CID 138042614) is N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide is O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1cc[nH]c(=O)c1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is ATKHIJYZKCQHNF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-11-3-1-9(2-4-11)12(18)8-17-14(20)10-5-6-16-13(19)7-10/h1-7,12,18H,8H2,(H,16,19)(H,17,20)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 292.72 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 138042614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).