6-[(4-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid

C15H14N2O4 — CID 43558323

IUPAC6-[(4-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(CNC(=O)c2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C15H14N2O4/c1-21-11-7-5-10(6-8-11)9-16-14(18)12-3-2-4-13(17-12)15(19)20/h2-8H,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyDSTSVTNRPDUFTG-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.72
Rot. Bonds5

About 6-[(4-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid

6-[(4-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 43558323) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID43558323
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name6-[(4-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCOc1ccc(CNC(=O)c2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C15H14N2O4/c1-21-11-7-5-10(6-8-11)9-16-14(18)12-3-2-4-13(17-12)15(19)20/h2-8H,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyDSTSVTNRPDUFTG-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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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid (CID 43558323) is 6-[(4-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid is COc1ccc(CNC(=O)c2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is DSTSVTNRPDUFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-11-7-5-10(6-8-11)9-16-14(18)12-3-2-4-13(17-12)15(19)20/h2-8H,9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 6-[(4-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid?
6-[(4-methoxyphenyl)methylcarbamoyl]pyridine-2-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 6-[(4-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 43558323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).