2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide

C13H12N2O4 — CID 54897744

IUPAC2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C13H12N2O4/c16-7-8-2-1-3-10(4-8)14-13(19)9-5-11(17)15-12(18)6-9/h1-6,16H,7H2,(H,14,19)(H2,15,17,18)
InChIKeyXSFTXEAXMMIMKA-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.83
Rot. Bonds3

About 2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide

2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 54897744) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID54897744
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESO=C(Nc1cccc(CO)c1)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C13H12N2O4/c16-7-8-2-1-3-10(4-8)14-13(19)9-5-11(17)15-12(18)6-9/h1-6,16H,7H2,(H,14,19)(H2,15,17,18)
InChIKeyXSFTXEAXMMIMKA-UHFFFAOYSA-N
XLogP0.83
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922
2-[4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]phenyl]acetic acid
CID 24696781
N-(4-aminophenyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 63215140
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
3-bromo-N-[3-(hydroxymethyl)phenyl]-5-methylbenzamide
CID 104852214
3-(dimethylamino)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629966
5-bromo-N-[3-(hydroxymethyl)phenyl]furan-3-carboxamide
CID 110910883
N-(3-fluoro-2-iodophenyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 114258592
4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide
CID 111104838
2-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]benzoic acid
CID 24699302
3-fluoro-N-[3-(hydroxymethyl)phenyl]-5-nitrobenzamide
CID 78953369
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide (CID 54897744) is 2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide is O=C(Nc1cccc(CO)c1)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is XSFTXEAXMMIMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-7-8-2-1-3-10(4-8)14-13(19)9-5-11(17)15-12(18)6-9/h1-6,16H,7H2,(H,14,19)(H2,15,17,18).
What are the key properties of 2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide?
2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 54897744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).