N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C15H13N3O2 — CID 129350671

IUPACN-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESN#CCCNC(=O)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C15H13N3O2/c16-9-4-10-17-14(19)12-7-8-13(18-15(12)20)11-5-2-1-3-6-11/h1-3,5-8H,4,10H2,(H,17,19)(H,18,20)
InChIKeyWYHCQMBAVFJHQS-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.69
Rot. Bonds4

About N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 129350671) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID129350671
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESN#CCCNC(=O)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C15H13N3O2/c16-9-4-10-17-14(19)12-7-8-13(18-15(12)20)11-5-2-1-3-6-11/h1-3,5-8H,4,10H2,(H,17,19)(H,18,20)
InChIKeyWYHCQMBAVFJHQS-UHFFFAOYSA-N
XLogP1.69
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491034
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
N-[2-(furan-2-yl)ethyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66497553
N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 119620529
N-[3-(furan-2-yl)propyl]-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66497554
N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55756725
6-(4-cyanophenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 125491202
N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111483420
N-[3-(4-fluorophenyl)sulfanylpropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55757741
N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 125478368
N-(cyanomethyl)-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497426
2-oxo-N-[2-[(2R)-oxolan-2-yl]ethyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95976361

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 129350671) is N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is N#CCCNC(=O)c1ccc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is WYHCQMBAVFJHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-9-4-10-17-14(19)12-7-8-13(18-15(12)20)11-5-2-1-3-6-11/h1-3,5-8H,4,10H2,(H,17,19)(H,18,20).
What are the key properties of N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 129350671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).