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

C14H17N3O — CID 115115922

IUPAC2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide
SMILESN#Cc1cc(C(=O)NCCC2CCCC2)ccn1
InChIInChI=1S/C14H17N3O/c15-10-13-9-12(6-8-16-13)14(18)17-7-5-11-3-1-2-4-11/h6,8-9,11H,1-5,7H2,(H,17,18)
InChIKeyIGVVRMKUYPLPJV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.26
Rot. Bonds4

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

2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide (PubChem CID 115115922) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide
PubChem CID115115922
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide
SMILESN#Cc1cc(C(=O)NCCC2CCCC2)ccn1
InChIInChI=1S/C14H17N3O/c15-10-13-9-12(6-8-16-13)14(18)17-7-5-11-3-1-2-4-11/h6,8-9,11H,1-5,7H2,(H,17,18)
InChIKeyIGVVRMKUYPLPJV-UHFFFAOYSA-N
XLogP2.26
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentylethyl)-2-(hydroxymethyl)pyridine-4-carboxamide
CID 115116140
2-amino-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 62161813
2-cyano-N-cyclohexylpyridine-4-carboxamide
CID 90349653
2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide
CID 115115937
2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 112527763
2-(2-aminoethyl)-N-(2-cyclobutylethyl)pyridine-4-carboxamide
CID 115116320
6-cyano-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 115116575
2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide
CID 115116142
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
N-(2-cyclopentylethyl)-3-hydroxy-4-methylbenzamide
CID 54932367
N-(2-cyclohexylethyl)-3-(methylamino)benzamide
CID 115160938
2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide
CID 115115941

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide (CID 115115922) is 2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide is N#Cc1cc(C(=O)NCCC2CCCC2)ccn1.
What is the InChIKey of 2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide?
The InChIKey is IGVVRMKUYPLPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-10-13-9-12(6-8-16-13)14(18)17-7-5-11-3-1-2-4-11/h6,8-9,11H,1-5,7H2,(H,17,18).
What are the key properties of 2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide?
2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115115922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).