3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile

C14H18ClN3O — CID 176986469

IUPAC3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile
SMILESCNC1CCC(Oc2cnc(C#N)c(Cl)c2C)CC1
InChIInChI=1S/C14H18ClN3O/c1-9-13(8-18-12(7-16)14(9)15)19-11-5-3-10(17-2)4-6-11/h8,10-11,17H,3-6H2,1-2H3
InChIKeyKKJHVXLZQVJLKY-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.82
Rot. Bonds3

About 3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile

3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile (PubChem CID 176986469) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile
PubChem CID176986469
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile
SMILESCNC1CCC(Oc2cnc(C#N)c(Cl)c2C)CC1
InChIInChI=1S/C14H18ClN3O/c1-9-13(8-18-12(7-16)14(9)15)19-11-5-3-10(17-2)4-6-11/h8,10-11,17H,3-6H2,1-2H3
InChIKeyKKJHVXLZQVJLKY-UHFFFAOYSA-N
XLogP2.82
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclohexyloxy-4-methyl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 176986397
3-methoxy-4-methyl-5-(2,2,4,4-tetramethylcyclobutyl)oxypyridine-2-carbonitrile
CID 176983093
2-chloro-4-cyclohexyloxy-3-methylbenzonitrile
CID 166111908
N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine
CID 20607230
3-chloro-2-[[4-(methylamino)cyclohexyl]amino]pyridine-4-carbonitrile
CID 107061344
N-[4-(3-chloro-4-cyano-2-methylphenoxy)cyclohexyl]-1-methyliodanuidylpyrazole-4-carboxamide
CID 176985540
N-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide
CID 155218395
2-chloro-5-cyclohexyloxy-4-methylpyrimidine
CID 167132041
4-[4-(methylamino)cyclohexyl]oxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 123746167
3-chloro-4-methoxy-5-methylpyridine-2-carbonitrile
CID 155138707
4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile
CID 138644006
4-[(6-iodo-3-pyridinyl)oxy]-N-methylcyclohexan-1-amine
CID 134405873

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile?
The IUPAC name of 3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile (CID 176986469) is 3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile is CNC1CCC(Oc2cnc(C#N)c(Cl)c2C)CC1.
What is the InChIKey of 3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile?
The InChIKey is KKJHVXLZQVJLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-9-13(8-18-12(7-16)14(9)15)19-11-5-3-10(17-2)4-6-11/h8,10-11,17H,3-6H2,1-2H3.
What are the key properties of 3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile?
3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile has a molecular weight of 279.77 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 176986469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).