N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C13H12N2O3 — CID 115577610

IUPACN-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H12N2O3/c16-11-4-1-9(2-5-11)7-15-13(18)10-3-6-12(17)14-8-10/h1-6,8,16H,7H2,(H,14,17)(H,15,18)
InChIKeyHZEVQGFGGJUNJD-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.01
Rot. Bonds3

About N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 115577610) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID115577610
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC NameN-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccc(O)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H12N2O3/c16-11-4-1-9(2-5-11)7-15-13(18)10-3-6-12(17)14-8-10/h1-6,8,16H,7H2,(H,14,17)(H,15,18)
InChIKeyHZEVQGFGGJUNJD-UHFFFAOYSA-N
XLogP1.01
TPSA82.19 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 ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4801056
N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47227479
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921250
N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 114040983
N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56820271
N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
6-oxo-1H-pyridine-3-carbohydrazide
CID 11051863
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854
N-[(3-ethoxy-4-methoxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921254
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46475867
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 17471917
6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 115577610) is N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCc1ccc(O)cc1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HZEVQGFGGJUNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-11-4-1-9(2-5-11)7-15-13(18)10-3-6-12(17)14-8-10/h1-6,8,16H,7H2,(H,14,17)(H,15,18).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 115577610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).