N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide

C13H15N3O — CID 60727656

IUPACN-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2(C#N)CCCC2)n1
InChIInChI=1S/C13H15N3O/c1-10-5-4-6-11(15-10)12(17)16-13(9-14)7-2-3-8-13/h4-6H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyJXHDCXHGXATNNC-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.96
Rot. Bonds2

About N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide

N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide (PubChem CID 60727656) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide
PubChem CID60727656
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC2(C#N)CCCC2)n1
InChIInChI=1S/C13H15N3O/c1-10-5-4-6-11(15-10)12(17)16-13(9-14)7-2-3-8-13/h4-6H,2-3,7-8H2,1H3,(H,16,17)
InChIKeyJXHDCXHGXATNNC-UHFFFAOYSA-N
XLogP1.96
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyano-4-methylcyclohexyl)-6-methylpyridine-2-carboxamide
CID 61119929
6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide
CID 114036737
N-(1-carbamothioylcycloheptyl)-6-methylpyridine-2-carboxamide
CID 61119375
N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide
CID 55059760
N-(1-cyanocyclopropyl)pyridine-2-carboxamide
CID 160579083
N-(1-cyanocyclopentyl)-3-iodobenzamide
CID 60659200
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
N-(1-cyanocyclooctyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 60968675
N-[1-(2-fluorophenyl)cyclopropyl]-6-methylpyridine-2-carboxamide
CID 110462508
N-[(1-aminocyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 119404313
6-chloro-N-(3-cyanothiolan-3-yl)pyridine-2-carboxamide
CID 62234577
2-acetamido-N-(1-cyanocyclohexyl)-1,3-thiazole-4-carboxamide
CID 87012099

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide (CID 60727656) is N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC2(C#N)CCCC2)n1.
What is the InChIKey of N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide?
The InChIKey is JXHDCXHGXATNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-5-4-6-11(15-10)12(17)16-13(9-14)7-2-3-8-13/h4-6H,2-3,7-8H2,1H3,(H,16,17).
What are the key properties of N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide?
N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 60727656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).