2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile

C14H19N3 — CID 43428254

IUPAC2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCC2CCCC2)n1
InChIInChI=1S/C14H19N3/c1-10-7-11(2)17-14(13(10)8-15)16-9-12-5-3-4-6-12/h7,12H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyICJQLGFVJMWBBA-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.17
Rot. Bonds3

About 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile

2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 43428254) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID43428254
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCC2CCCC2)n1
InChIInChI=1S/C14H19N3/c1-10-7-11(2)17-14(13(10)8-15)16-9-12-5-3-4-6-12/h7,12H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyICJQLGFVJMWBBA-UHFFFAOYSA-N
XLogP3.17
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]pyridine-3-carbonitrile
CID 61012193
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 63899165
2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 61004045
4,6-dimethyl-2-(3,3,3-trifluoropropylamino)pyridine-3-carbonitrile
CID 63226839
2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 93453724
6-(cyclopropylmethylamino)-2,4-dimethylpyridine-3-carbonitrile
CID 162636895
2-[(1-aminocyclobutyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 103354121
2-[2-(azepan-1-yl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 61240776
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-2-cyclopropylpropanoic acid
CID 64670074
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile
CID 102906163
4,6-dimethyl-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-3-carbonitrile
CID 62845586

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile (CID 43428254) is 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCC2CCCC2)n1.
What is the InChIKey of 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is ICJQLGFVJMWBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-7-11(2)17-14(13(10)8-15)16-9-12-5-3-4-6-12/h7,12H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile?
2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylamino)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 43428254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).