2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

C15H21N3O — CID 886683

IUPAC2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(NC2CCCCC2)c1C#N
InChIInChI=1S/C15H21N3O/c1-11-8-12(10-19-2)14(9-16)15(17-11)18-13-6-4-3-5-7-13/h8,13H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyQJWCTDCYFSLQAW-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.15
Rot. Bonds4

About 2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (PubChem CID 886683) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
PubChem CID886683
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
SMILESCOCc1cc(C)nc(NC2CCCCC2)c1C#N
InChIInChI=1S/C15H21N3O/c1-11-8-12(10-19-2)14(9-16)15(17-11)18-13-6-4-3-5-7-13/h8,13H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyQJWCTDCYFSLQAW-UHFFFAOYSA-N
XLogP3.15
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-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

4,6-Dimethyl-2-[3-(4-morpholinyl)propylamino]-3-pyridinecarbonitrile
CID 2013066
2-(4-Methoxy-benzylamino)-4,6-dimethyl-nicotinonitrile
CID 975783
4-(Methoxymethyl)-6-methyl-2-(4-phenyl-1-piperazinyl)-3-pyridinecarbonitrile
CID 828953
4-(Methoxymethyl)-6-methyl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]nicotinonitrile
CID 1510629
2-[3-(Diethylamino)propylamino]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile
CID 5295326
4-(Methoxymethyl)-6-methyl-2-(2-methylanilino)-3-pyridinecarbonitrile
CID 756386
2-[(2,5-Dimethylphenyl)amino]-4-(methoxymethyl)-6-methylnicotinonitrile
CID 791043
N-isopropyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 1476686
N-allyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 3723355
2-(cyclohexylamino)-7,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 817279
4-(Methoxymethyl)-6-methyl-2-piperidin-1-ylpyridine-3-carbonitrile
CID 701914
2-(4-Benzylpiperazin-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile
CID 828954

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile (CID 886683) is 2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is COCc1cc(C)nc(NC2CCCCC2)c1C#N.
What is the InChIKey of 2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
The InChIKey is QJWCTDCYFSLQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-8-12(10-19-2)14(9-16)15(17-11)18-13-6-4-3-5-7-13/h8,13H,3-7,10H2,1-2H3,(H,17,18).
What are the key properties of 2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile?
2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 886683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).