4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide

C15H19N3O — CID 115116934

IUPAC4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide
SMILESCN(CCC1CCCC1)C(=O)c1cc(C#N)ccn1
InChIInChI=1S/C15H19N3O/c1-18(9-7-12-4-2-3-5-12)15(19)14-10-13(11-16)6-8-17-14/h6,8,10,12H,2-5,7,9H2,1H3
InChIKeyCUOPWFKBUWGXJC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.61
Rot. Bonds4

About 4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide

4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide (PubChem CID 115116934) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide
PubChem CID115116934
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide
SMILESCN(CCC1CCCC1)C(=O)c1cc(C#N)ccn1
InChIInChI=1S/C15H19N3O/c1-18(9-7-12-4-2-3-5-12)15(19)14-10-13(11-16)6-8-17-14/h6,8,10,12H,2-5,7,9H2,1H3
InChIKeyCUOPWFKBUWGXJC-UHFFFAOYSA-N
XLogP2.61
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide (CID 115116934) is 4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide is CN(CCC1CCCC1)C(=O)c1cc(C#N)ccn1.
What is the InChIKey of 4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is CUOPWFKBUWGXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(9-7-12-4-2-3-5-12)15(19)14-10-13(11-16)6-8-17-14/h6,8,10,12H,2-5,7,9H2,1H3.
What are the key properties of 4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide?
4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 115116934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).