N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide

C13H15N3O — CID 55059760

IUPACN-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC1(C#N)CCCC1
InChIInChI=1S/C13H15N3O/c1-10-5-4-8-15-11(10)12(17)16-13(9-14)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,16,17)
InChIKeySDSKVSOQJMVOAR-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.96
Rot. Bonds2

About N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide

N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide (PubChem CID 55059760) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide
PubChem CID55059760
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC1(C#N)CCCC1
InChIInChI=1S/C13H15N3O/c1-10-5-4-8-15-11(10)12(17)16-13(9-14)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,16,17)
InChIKeySDSKVSOQJMVOAR-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

1-[(3-methylpyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 62338755
2-[1-[(3-methylpyridine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671017
N-[1-(hydroxymethyl)cyclopropyl]-3-methylpyridine-2-carboxamide
CID 115877759
3-methyl-N-(3-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 107422634
N-(1-cyanocyclopentyl)-6-methylpyridine-2-carboxamide
CID 60727656
N-[(1-aminocyclohexyl)methyl]-3-methylpyridine-2-carboxamide
CID 119404249
N-(1-cyanocyclopropyl)pyridine-2-carboxamide
CID 160579083
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 103969592
N-(1-cyanocyclohexyl)pyridazine-4-carboxamide
CID 112705399
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518
1-cyano-N-(3-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 60717449
N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide
CID 54904547

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide?
The IUPAC name of N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide (CID 55059760) is N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NC1(C#N)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide?
The InChIKey is SDSKVSOQJMVOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-5-4-8-15-11(10)12(17)16-13(9-14)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide?
N-(1-cyanocyclopentyl)-3-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)-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 55059760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).