2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile

C16H23N3 — CID 114766447

IUPAC2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N(CC(C)C)C2CCCC2)n1
InChIInChI=1S/C16H23N3/c1-12(2)11-19(15-6-4-5-7-15)16-9-14(10-17)8-13(3)18-16/h8-9,12,15H,4-7,11H2,1-3H3
InChIKeyYOVRFFCLJLCZFG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.67
Rot. Bonds4

About 2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile

2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile (PubChem CID 114766447) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
PubChem CID114766447
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(N(CC(C)C)C2CCCC2)n1
InChIInChI=1S/C16H23N3/c1-12(2)11-19(15-6-4-5-7-15)16-9-14(10-17)8-13(3)18-16/h8-9,12,15H,4-7,11H2,1-3H3
InChIKeyYOVRFFCLJLCZFG-UHFFFAOYSA-N
XLogP3.67
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile
CID 114765935
2-[cyclopropyl(prop-2-enyl)amino]-6-methylpyridine-4-carbonitrile
CID 114766517
2-[(4-aminocyclohexyl)-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770148
2-methyl-6-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 106620650
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-6-methylpyridine-4-carbonitrile
CID 106643778
4-N-cyclopentyl-6-methyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80838599
2-[[2-(aminomethyl)cyclohexyl]-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770120
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770116
4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80855037
4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80811378
4-(aminomethyl)-N-cyclopentyl-6-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 107542143
2-methyl-6-[methyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 114765737

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile (CID 114766447) is 2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(N(CC(C)C)C2CCCC2)n1.
What is the InChIKey of 2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile?
The InChIKey is YOVRFFCLJLCZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)11-19(15-6-4-5-7-15)16-9-14(10-17)8-13(3)18-16/h8-9,12,15H,4-7,11H2,1-3H3.
What are the key properties of 2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile?
2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile has a molecular weight of 257.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-methylpropyl)amino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).