2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile

C14H18ClN3 — CID 83076603

IUPAC2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile
SMILESCC1(C)CCCCC1Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C14H18ClN3/c1-14(2)6-4-3-5-11(14)17-13-8-10(9-16)7-12(15)18-13/h7-8,11H,3-6H2,1-2H3,(H,17,18)
InChIKeyNOQUAIYHHZUJPC-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.99
Rot. Bonds2

About 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile

2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile (PubChem CID 83076603) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile
PubChem CID83076603
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile
SMILESCC1(C)CCCCC1Nc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C14H18ClN3/c1-14(2)6-4-3-5-11(14)17-13-8-10(9-16)7-12(15)18-13/h7-8,11H,3-6H2,1-2H3,(H,17,18)
InChIKeyNOQUAIYHHZUJPC-UHFFFAOYSA-N
XLogP3.99
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2,2-dimethylcyclohexyl)-4-nitropyridin-2-amine
CID 114070861
2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carboxylic acid
CID 79878433
2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile
CID 83077251
2-chloro-N-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562759
4,6-dichloro-N-(2,2-dimethylcyclohexyl)-1,3,5-triazin-2-amine
CID 79873127
5-[(2,2-dimethylcyclohexyl)amino]-2-fluorobenzonitrile
CID 79835897
6-[(2,2-dimethylcyclopentyl)amino]pyridazine-3-carbonitrile
CID 133418862
4-[(2,2-dimethylcyclopentyl)amino]-3-methoxybenzonitrile
CID 104848349
2-chloro-6-[(2-methyloxolan-3-yl)amino]pyridine-4-carbonitrile
CID 83076352
3-bromo-5-[(2,2-dimethylcyclopentyl)amino]benzonitrile
CID 102816831
2-[(2,2-dimethylcyclohexyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 79870452
2-chloro-N-(2,2-dimethylcyclohexyl)-4-nitroaniline
CID 79828883

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile (CID 83076603) is 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile is CC1(C)CCCCC1Nc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile?
The InChIKey is NOQUAIYHHZUJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-14(2)6-4-3-5-11(14)17-13-8-10(9-16)7-12(15)18-13/h7-8,11H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile?
2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile has a molecular weight of 263.77 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2,2-dimethylcyclohexyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 83076603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).