2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile

C13H16ClN3 — CID 83073662

IUPAC2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile
SMILESCN(c1cc(C#N)cc(Cl)n1)C1CCCCC1
InChIInChI=1S/C13H16ClN3/c1-17(11-5-3-2-4-6-11)13-8-10(9-15)7-12(14)16-13/h7-8,11H,2-6H2,1H3
InChIKeyOOIVPRZGKIAWNG-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.38
Rot. Bonds2

About 2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile

2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile (PubChem CID 83073662) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile
PubChem CID83073662
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile
SMILESCN(c1cc(C#N)cc(Cl)n1)C1CCCCC1
InChIInChI=1S/C13H16ClN3/c1-17(11-5-3-2-4-6-11)13-8-10(9-15)7-12(14)16-13/h7-8,11H,2-6H2,1H3
InChIKeyOOIVPRZGKIAWNG-UHFFFAOYSA-N
XLogP3.38
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-cyclopentyl-N-methylpyrimidin-4-amine
CID 130569686
6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
CID 115143281
2-chloro-6-[methyl(2-methylpropyl)amino]pyridine-4-carbonitrile
CID 83074339
2-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 83076492
2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile
CID 83076998
2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile
CID 83076502
2-[butyl(methyl)amino]-6-chloropyridine-4-carbonitrile
CID 83074694
6-chloro-N-cyclohexyl-2-(ethoxymethyl)-N-methylpyrimidin-4-amine
CID 113400782
2-chloro-6-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile
CID 83073110
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122
5-chloro-2-[cyclohexyl(methyl)amino]benzonitrile
CID 55078332
2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 83073442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile (CID 83073662) is 2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile is CN(c1cc(C#N)cc(Cl)n1)C1CCCCC1.
What is the InChIKey of 2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile?
The InChIKey is OOIVPRZGKIAWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-17(11-5-3-2-4-6-11)13-8-10(9-15)7-12(14)16-13/h7-8,11H,2-6H2,1H3.
What are the key properties of 2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile?
2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile has a molecular weight of 249.74 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 83073662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).