4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid

C15H14N2O5 — CID 53271047

IUPAC4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCOc1ccc(NC(=O)c2ccncc2C(=O)O)c(OC)c1
InChIInChI=1S/C15H14N2O5/c1-21-9-3-4-12(13(7-9)22-2)17-14(18)10-5-6-16-8-11(10)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyKKTRGMOCNIBJQH-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.05
Rot. Bonds5

About 4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid

4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 53271047) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID53271047
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCOc1ccc(NC(=O)c2ccncc2C(=O)O)c(OC)c1
InChIInChI=1S/C15H14N2O5/c1-21-9-3-4-12(13(7-9)22-2)17-14(18)10-5-6-16-8-11(10)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyKKTRGMOCNIBJQH-UHFFFAOYSA-N
XLogP2.05
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270694
N-(2,5-dimethoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 115645348
N-[2-[(2,4-dimethoxyphenyl)carbamoyl]-4-iodophenyl]pyridine-3-carboxamide
CID 4236542
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105063077
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide
CID 9192573
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
N-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 3908223
2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide
CID 61089728
N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766220

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid (CID 53271047) is 4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid is COc1ccc(NC(=O)c2ccncc2C(=O)O)c(OC)c1.
What is the InChIKey of 4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is KKTRGMOCNIBJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-21-9-3-4-12(13(7-9)22-2)17-14(18)10-5-6-16-8-11(10)15(19)20/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid?
4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53271047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).