2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid

C15H14N2O4 — CID 131988896

IUPAC2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)cc(Cc2cccc(O)c2)n1
InChIInChI=1S/C15H14N2O4/c1-16-14(19)13-8-10(15(20)21)7-11(17-13)5-9-3-2-4-12(18)6-9/h2-4,6-8,18H,5H2,1H3,(H,16,19)(H,20,21)
InChIKeyFNQKWTUEDWLQKV-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.44
Rot. Bonds4

About 2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid

2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid (PubChem CID 131988896) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
PubChem CID131988896
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
SMILESCNC(=O)c1cc(C(=O)O)cc(Cc2cccc(O)c2)n1
InChIInChI=1S/C15H14N2O4/c1-16-14(19)13-8-10(15(20)21)7-11(17-13)5-9-3-2-4-12(18)6-9/h2-4,6-8,18H,5H2,1H3,(H,16,19)(H,20,21)
InChIKeyFNQKWTUEDWLQKV-UHFFFAOYSA-N
XLogP1.44
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 146818121
6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 138706673
2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 131988908
4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride
CID 153309197
6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
CID 131988817
4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide
CID 131997123
6-[(3-methoxyphenyl)methyl]-N-methyl-4-[2-[(1R,2S)-2-methylcyclopropyl]acetyl]pyridine-2-carboxamide
CID 162084469
6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 138571886
3-[(3-hydroxyphenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96609565
tert-butyl 2-(methylcarbamoyl)-6-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxylate
CID 175277773
tert-butyl 2-[(4-cyanophenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylate
CID 131997113
5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 115093007

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid (CID 131988896) is 2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid is CNC(=O)c1cc(C(=O)O)cc(Cc2cccc(O)c2)n1.
What is the InChIKey of 2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid?
The InChIKey is FNQKWTUEDWLQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-16-14(19)13-8-10(15(20)21)7-11(17-13)5-9-3-2-4-12(18)6-9/h2-4,6-8,18H,5H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid?
2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 131988896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).