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

C13H17N3 — CID 62894133

IUPAC3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1cccnc1C#N)C1CCCC1
InChIInChI=1S/C13H17N3/c1-16(12-6-2-3-7-12)10-11-5-4-8-15-13(11)9-14/h4-5,8,12H,2-3,6-7,10H2,1H3
InChIKeyBKIWWCBWIAJDRO-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.33
Rot. Bonds3

About 3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile

3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 62894133) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID62894133
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
SMILESCN(Cc1cccnc1C#N)C1CCCC1
InChIInChI=1S/C13H17N3/c1-16(12-6-2-3-7-12)10-11-5-4-8-15-13(11)9-14/h4-5,8,12H,2-3,6-7,10H2,1H3
InChIKeyBKIWWCBWIAJDRO-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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Related Compounds

3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]pyridine-2-carbonitrile
CID 62895827
N-[(2-chloro-3-pyridinyl)methyl]-N-methylcycloheptanamine
CID 62470734
3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile
CID 62919578
3-(cyclopentylsulfanylmethyl)pyridine-2-carbonitrile
CID 63115074
3-[[cyclopentyl(methyl)amino]methyl]-2-fluorobenzonitrile
CID 103912018
3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile
CID 79381926
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile
CID 62920268
3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62921272
3-(cyclohexylsulfinylmethyl)pyridine-2-carbonitrile
CID 64692156
3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62895109
4-N-[(2-chloro-3-pyridinyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121431
3-chloro-4-[[cyclopentyl(methyl)amino]methyl]benzonitrile
CID 102665289

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile (CID 62894133) is 3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile is CN(Cc1cccnc1C#N)C1CCCC1.
What is the InChIKey of 3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is BKIWWCBWIAJDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-16(12-6-2-3-7-12)10-11-5-4-8-15-13(11)9-14/h4-5,8,12H,2-3,6-7,10H2,1H3.
What are the key properties of 3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile?
3-[[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 3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62894133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).