3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile

C16H22ClN3 — CID 107058051

IUPAC3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile
SMILESCC(C)CCN(c1nccc(C#N)c1Cl)C1CCCC1
InChIInChI=1S/C16H22ClN3/c1-12(2)8-10-20(14-5-3-4-6-14)16-15(17)13(11-18)7-9-19-16/h7,9,12,14H,3-6,8,10H2,1-2H3
InChIKeyGRUFGEGHSFFJJE-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.40
Rot. Bonds5

About 3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile

3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile (PubChem CID 107058051) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile
PubChem CID107058051
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile
SMILESCC(C)CCN(c1nccc(C#N)c1Cl)C1CCCC1
InChIInChI=1S/C16H22ClN3/c1-12(2)8-10-20(14-5-3-4-6-14)16-15(17)13(11-18)7-9-19-16/h7,9,12,14H,3-6,8,10H2,1-2H3
InChIKeyGRUFGEGHSFFJJE-UHFFFAOYSA-N
XLogP4.40
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopentyl(3-methylbutyl)amino]pyridazine-4-carbonitrile
CID 80510085
3-N-cyclopentyl-3-N-(3-methylbutyl)pyrazine-2,3-diamine
CID 102986844
3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile
CID 107057550
4-(aminomethyl)-N-cyclopentyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105390159
3-chloro-2-[2-methoxyethyl(2-methylpropyl)amino]pyridine-4-carbonitrile
CID 107057272
2-amino-3-[cyclopentyl(3-methylbutyl)amino]benzonitrile
CID 104716929
4-[cyclopropyl(3-methylbutyl)amino]pyridine-2-carbonitrile
CID 78918805
5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 103583405
3-chloro-2-[2,2-difluoroethyl(methyl)amino]pyridine-4-carbonitrile
CID 107058480
3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile
CID 107057155
3-amino-2-[cyclopropyl(propyl)amino]pyridine-4-carbonitrile
CID 82816961
2-chloro-N-cyclopropyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 78989121

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile (CID 107058051) is 3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile is CC(C)CCN(c1nccc(C#N)c1Cl)C1CCCC1.
What is the InChIKey of 3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile?
The InChIKey is GRUFGEGHSFFJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-12(2)8-10-20(14-5-3-4-6-14)16-15(17)13(11-18)7-9-19-16/h7,9,12,14H,3-6,8,10H2,1-2H3.
What are the key properties of 3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile?
3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile has a molecular weight of 291.83 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107058051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).