5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid

C15H14N2O3 — CID 43414636

IUPAC5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)nc1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c1-10(11-5-3-2-4-6-11)17-14(18)12-7-8-13(15(19)20)16-9-12/h2-10H,1H3,(H,17,18)(H,19,20)
InChIKeyAFPDLNGYIOJNQG-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.27
Rot. Bonds4

About 5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid

5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 43414636) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID43414636
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
SMILESCC(NC(=O)c1ccc(C(=O)O)nc1)c1ccccc1
InChIInChI=1S/C15H14N2O3/c1-10(11-5-3-2-4-6-11)17-14(18)12-7-8-13(15(19)20)16-9-12/h2-10H,1H3,(H,17,18)(H,19,20)
InChIKeyAFPDLNGYIOJNQG-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

5-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 106389573
6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109151952
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
5-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 114168195
6-(ethylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 62165290
2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide
CID 167008521
5-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]pyridine-2-carboxylic acid
CID 61030950
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 60725401
2-(azepan-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256389
5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 112520266

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid (CID 43414636) is 5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid is CC(NC(=O)c1ccc(C(=O)O)nc1)c1ccccc1.
What is the InChIKey of 5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is AFPDLNGYIOJNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10(11-5-3-2-4-6-11)17-14(18)12-7-8-13(15(19)20)16-9-12/h2-10H,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid?
5-(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 5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 43414636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).