4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile

C13H17N3 — CID 63883628

IUPAC4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1ccnc(C#N)c1)C1CCCC1
InChIInChI=1S/C13H17N3/c1-16(13-4-2-3-5-13)10-11-6-7-15-12(8-11)9-14/h6-8,13H,2-5,10H2,1H3
InChIKeyRVZKJTWMCKSDAJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.33
Rot. Bonds3

About 4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile

4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 63883628) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID63883628
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1ccnc(C#N)c1)C1CCCC1
InChIInChI=1S/C13H17N3/c1-16(13-4-2-3-5-13)10-11-6-7-15-12(8-11)9-14/h6-8,13H,2-5,10H2,1H3
InChIKeyRVZKJTWMCKSDAJ-UHFFFAOYSA-N
XLogP2.33
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile (CID 63883628) is 4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile is CN(Cc1ccnc(C#N)c1)C1CCCC1.
What is the InChIKey of 4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is RVZKJTWMCKSDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-16(13-4-2-3-5-13)10-11-6-7-15-12(8-11)9-14/h6-8,13H,2-5,10H2,1H3.
What are the key properties of 4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile?
4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63883628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).