5-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid

C14H12N2O4 — CID 15121193

IUPAC5-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C14H12N2O4/c1-20-11-5-3-10(4-6-11)16-13(17)9-2-7-12(14(18)19)15-8-9/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyCHXZZSJRALAMSH-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.04
Rot. Bonds4

About 5-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid

5-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 15121193) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID15121193
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name5-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C14H12N2O4/c1-20-11-5-3-10(4-6-11)16-13(17)9-2-7-12(14(18)19)15-8-9/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyCHXZZSJRALAMSH-UHFFFAOYSA-N
XLogP2.04
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid (CID 15121193) is 5-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid is COc1ccc(NC(=O)c2ccc(C(=O)O)nc2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is CHXZZSJRALAMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-20-11-5-3-10(4-6-11)16-13(17)9-2-7-12(14(18)19)15-8-9/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid?
5-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 15121193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).