2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile

C13H17N3 — CID 62997457

IUPAC2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile
SMILESCc1ccc(CNC2CCCC2C#N)cn1
InChIInChI=1S/C13H17N3/c1-10-5-6-11(8-15-10)9-16-13-4-2-3-12(13)7-14/h5-6,8,12-13,16H,2-4,9H2,1H3
InChIKeyJJVYVPMVPMHTTA-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.17
Rot. Bonds3

About 2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile

2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile (PubChem CID 62997457) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile
PubChem CID62997457
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile
SMILESCc1ccc(CNC2CCCC2C#N)cn1
InChIInChI=1S/C13H17N3/c1-10-5-6-11(8-15-10)9-16-13-4-2-3-12(13)7-14/h5-6,8,12-13,16H,2-4,9H2,1H3
InChIKeyJJVYVPMVPMHTTA-UHFFFAOYSA-N
XLogP2.17
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
CID 55114369
2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 63305762
N-[(6-methyl-3-pyridinyl)methyl]-2-phenylcyclohexan-1-amine
CID 62994908
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
2-[(3,4-dibromophenyl)methylamino]cyclopentane-1-carbonitrile
CID 113429756
2-(pyridin-4-ylmethylamino)cycloheptane-1-carbonitrile
CID 62743142
2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile
CID 62741701
2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile
CID 62742638
methyl 4-[[(2-cyanocyclopentyl)amino]methyl]benzoate
CID 62960921
4-[[(2-cyanocyclopentyl)amino]methyl]-N-methylbenzamide
CID 62961122
4-[[(2-cyanocyclopentyl)amino]methyl]benzamide
CID 55154245
2-(1,2,4-oxadiazol-3-ylmethylamino)cyclopentane-1-carbonitrile
CID 106398912

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile (CID 62997457) is 2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile is Cc1ccc(CNC2CCCC2C#N)cn1.
What is the InChIKey of 2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile?
The InChIKey is JJVYVPMVPMHTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-5-6-11(8-15-10)9-16-13-4-2-3-12(13)7-14/h5-6,8,12-13,16H,2-4,9H2,1H3.
What are the key properties of 2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile?
2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 62997457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).