2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid

C15H14N2O4 — CID 19154817

IUPAC2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCOc1ccc(CNC(=O)c2ncccc2C(=O)O)cc1
InChIInChI=1S/C15H14N2O4/c1-21-11-6-4-10(5-7-11)9-17-14(18)13-12(15(19)20)3-2-8-16-13/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyNLHVWFBWLKZZAR-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.72
Rot. Bonds5

About 2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid

2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 19154817) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID19154817
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCOc1ccc(CNC(=O)c2ncccc2C(=O)O)cc1
InChIInChI=1S/C15H14N2O4/c1-21-11-6-4-10(5-7-11)9-17-14(18)13-12(15(19)20)3-2-8-16-13/h2-8H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyNLHVWFBWLKZZAR-UHFFFAOYSA-N
XLogP1.72
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615083
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 84573928
2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
2-(cyanomethylcarbamoyl)pyridine-3-carboxylic acid
CID 57302140
N-[(4-methoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 110701358
N-[(4-methoxyphenyl)methyl]-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162853
2-(2,2-dimethoxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 63614935
3-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 104740841
2-[(2-chloro-5-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63614444
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
N-[(4-methoxyphenyl)methyl]-2-(2-phenylacetyl)benzamide
CID 1274362

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid (CID 19154817) is 2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid is COc1ccc(CNC(=O)c2ncccc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is NLHVWFBWLKZZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-11-6-4-10(5-7-11)9-17-14(18)13-12(15(19)20)3-2-8-16-13/h2-8H,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid?
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 19154817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).