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

C15H14N2O4 — CID 63615584

IUPAC2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCN(Cc1cccc(O)c1)C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C15H14N2O4/c1-17(9-10-4-2-5-11(18)8-10)14(19)13-12(15(20)21)6-3-7-16-13/h2-8,18H,9H2,1H3,(H,20,21)
InChIKeyLLONEQVICPLTKL-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.76
Rot. Bonds4

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

2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 63615584) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID63615584
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCN(Cc1cccc(O)c1)C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C15H14N2O4/c1-17(9-10-4-2-5-11(18)8-10)14(19)13-12(15(20)21)6-3-7-16-13/h2-8,18H,9H2,1H3,(H,20,21)
InChIKeyLLONEQVICPLTKL-UHFFFAOYSA-N
XLogP1.76
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromophenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615108
2-[methyl(thiophen-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615237
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]benzoic acid
CID 60951116
3-amino-N-[(3-chlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 104741524
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614269
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61115143
N-[(3-hydroxyphenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63049252
2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid
CID 114198841
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
N-[(4-hydroxyphenyl)methyl]-N,3-dimethylpyridine-2-carboxamide
CID 55060277
6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 47298789
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615578

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid (CID 63615584) is 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid is CN(Cc1cccc(O)c1)C(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is LLONEQVICPLTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-17(9-10-4-2-5-11(18)8-10)14(19)13-12(15(20)21)6-3-7-16-13/h2-8,18H,9H2,1H3,(H,20,21).
What are the key properties of 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid?
2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63615584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).