6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide

C13H12N2O3 — CID 132525197

IUPAC6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c([C@@H](O)c2ccccc2)cc1=O
InChIInChI=1S/C13H12N2O3/c14-13(18)9-7-15-10(6-11(9)16)12(17)8-4-2-1-3-5-8/h1-7,12,17H,(H2,14,18)(H,15,16)/t12-/m0/s1
InChIKeyDIKSXFGBISXWOX-LBPRGKRZSA-N
MW244.25 g/mol
LogP0.56
Rot. Bonds3

About 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide

6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 132525197) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID132525197
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c[nH]c([C@@H](O)c2ccccc2)cc1=O
InChIInChI=1S/C13H12N2O3/c14-13(18)9-7-15-10(6-11(9)16)12(17)8-4-2-1-3-5-8/h1-7,12,17H,(H2,14,18)(H,15,16)/t12-/m0/s1
InChIKeyDIKSXFGBISXWOX-LBPRGKRZSA-N
XLogP0.56
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 132525199
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CID 132525200
CID 132525200
CID 132525202
CID 132525202
CID 45359195
CID 45359195
CID 75528845
CID 75528845
CID 45884346
CID 45884346
CID 45884356
CID 45884356
CID 45884931
CID 45884931
CID 47441467
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CID 72046982
CID 72046982

Frequently Asked Questions

What is the IUPAC name of 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide (CID 132525197) is 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide is NC(=O)c1c[nH]c([C@@H](O)c2ccccc2)cc1=O.
What is the InChIKey of 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DIKSXFGBISXWOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-13(18)9-7-15-10(6-11(9)16)12(17)8-4-2-1-3-5-8/h1-7,12,17H,(H2,14,18)(H,15,16)/t12-/m0/s1.
What are the key properties of 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-hydroxy(phenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 132525197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).