4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid

C15H14N2O3 — CID 115730036

IUPAC4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
SMILESCC(NC(=O)c1ccnc(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c1-10(11-5-3-2-4-6-11)17-14(18)12-7-8-16-13(9-12)15(19)20/h2-10H,1H3,(H,17,18)(H,19,20)
InChIKeyALLIBBKHOFKTPL-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.27
Rot. Bonds4

About 4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid

4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 115730036) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID115730036
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
SMILESCC(NC(=O)c1ccnc(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c1-10(11-5-3-2-4-6-11)17-14(18)12-7-8-16-13(9-12)15(19)20/h2-10H,1H3,(H,17,18)(H,19,20)
InChIKeyALLIBBKHOFKTPL-UHFFFAOYSA-N
XLogP2.27
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3-bromophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 115730206
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086071
2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
2-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109165889
4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109084145
2-N-[(2-fluorophenyl)methyl]-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086006
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389570
4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086154
4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086090

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid (CID 115730036) is 4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid is CC(NC(=O)c1ccnc(C(=O)O)c1)c1ccccc1.
What is the InChIKey of 4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is ALLIBBKHOFKTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10(11-5-3-2-4-6-11)17-14(18)12-7-8-16-13(9-12)15(19)20/h2-10H,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid?
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 115730036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).