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

C15H19N3O — CID 115115937

IUPAC2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide
SMILESCN(CCC1CCCC1)C(=O)c1ccnc(C#N)c1
InChIInChI=1S/C15H19N3O/c1-18(9-7-12-4-2-3-5-12)15(19)13-6-8-17-14(10-13)11-16/h6,8,10,12H,2-5,7,9H2,1H3
InChIKeyTUUBPEADFUWKAS-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.61
Rot. Bonds4

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

2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide (PubChem CID 115115937) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide
PubChem CID115115937
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide
SMILESCN(CCC1CCCC1)C(=O)c1ccnc(C#N)c1
InChIInChI=1S/C15H19N3O/c1-18(9-7-12-4-2-3-5-12)15(19)13-6-8-17-14(10-13)11-16/h6,8,10,12H,2-5,7,9H2,1H3
InChIKeyTUUBPEADFUWKAS-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

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Related Compounds

4-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-2-carboxamide
CID 115116934
2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 115115922
2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 115115910
2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide
CID 115116324
2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115115934
5-cyano-N-(2-cyclobutylethyl)-N-methylpyridine-3-carboxamide
CID 115115601
2-[2-cyclopropylethyl(methyl)carbamoyl]pyridine-4-carboxylic acid
CID 122056277
3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 115160809
2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide
CID 114326567
2-cyano-N-methyl-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 115115897
2-cyano-N-cyclohexylpyridine-4-carboxamide
CID 90349653
N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62244049

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide (CID 115115937) is 2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide is CN(CCC1CCCC1)C(=O)c1ccnc(C#N)c1.
What is the InChIKey of 2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide?
The InChIKey is TUUBPEADFUWKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(9-7-12-4-2-3-5-12)15(19)13-6-8-17-14(10-13)11-16/h6,8,10,12H,2-5,7,9H2,1H3.
What are the key properties of 2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide?
2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-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 2-cyano-N-(2-cyclopentylethyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 115115937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).