3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile

C13H17N3 — CID 107418667

IUPAC3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
SMILESCC1CCCC1CNc1cnccc1C#N
InChIInChI=1S/C13H17N3/c1-10-3-2-4-12(10)8-16-13-9-15-6-5-11(13)7-14/h5-6,9-10,12,16H,2-4,8H2,1H3
InChIKeyNJPIZJPAAZHGMN-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.80
Rot. Bonds3

About 3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile

3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile (PubChem CID 107418667) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
PubChem CID107418667
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
SMILESCC1CCCC1CNc1cnccc1C#N
InChIInChI=1S/C13H17N3/c1-10-3-2-4-12(10)8-16-13-9-15-6-5-11(13)7-14/h5-6,9-10,12,16H,2-4,8H2,1H3
InChIKeyNJPIZJPAAZHGMN-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methylcyclopentyl)methylamino]pyridine-4-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

3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile
CID 107418642
3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
CID 114287626
3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile
CID 115883746
3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile
CID 102809585
2-bromo-4-[(2-methylcyclopentyl)methylamino]benzonitrile
CID 107418654
3-fluoro-4-[(2-methylcyclopentyl)methylamino]benzonitrile
CID 107418639
3-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 114287604
4-[(2-methylcyclopentyl)methylamino]-3-nitrobenzonitrile
CID 107419187
3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
CID 103888654
3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 113362602
3-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
CID 114287768
4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 62925361

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile (CID 107418667) is 3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile is CC1CCCC1CNc1cnccc1C#N.
What is the InChIKey of 3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile?
The InChIKey is NJPIZJPAAZHGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-3-2-4-12(10)8-16-13-9-15-6-5-11(13)7-14/h5-6,9-10,12,16H,2-4,8H2,1H3.
What are the key properties of 3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile?
3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 107418667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).