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

C13H17N3 — CID 107418642

IUPAC3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile
SMILESCC1CCCC1CNc1cccnc1C#N
InChIInChI=1S/C13H17N3/c1-10-4-2-5-11(10)9-16-12-6-3-7-15-13(12)8-14/h3,6-7,10-11,16H,2,4-5,9H2,1H3
InChIKeyQPTNDMAQXTWWGW-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.80
Rot. Bonds3

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

3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile (PubChem CID 107418642) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile
PubChem CID107418642
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile
SMILESCC1CCCC1CNc1cccnc1C#N
InChIInChI=1S/C13H17N3/c1-10-4-2-5-11(10)9-16-12-6-3-7-15-13(12)8-14/h3,6-7,10-11,16H,2,4-5,9H2,1H3
InChIKeyQPTNDMAQXTWWGW-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile (CID 107418642) is 3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile is CC1CCCC1CNc1cccnc1C#N.
What is the InChIKey of 3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is QPTNDMAQXTWWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-4-2-5-11(10)9-16-12-6-3-7-15-13(12)8-14/h3,6-7,10-11,16H,2,4-5,9H2,1H3.
What are the key properties of 3-[(2-methylcyclopentyl)methylamino]pyridine-2-carbonitrile?
3-[(2-methylcyclopentyl)methylamino]pyridine-2-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-2-carbonitrile is sourced from PubChem (CID 107418642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).