2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile

C16H23N3 — CID 62405601

IUPAC2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile
SMILESCCC(Nc1nc(C)ccc1C#N)C1CCCCC1
InChIInChI=1S/C16H23N3/c1-3-15(13-7-5-4-6-8-13)19-16-14(11-17)10-9-12(2)18-16/h9-10,13,15H,3-8H2,1-2H3,(H,18,19)
InChIKeyCBYINKQSPYPOBD-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.03
Rot. Bonds4

About 2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile

2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile (PubChem CID 62405601) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile
PubChem CID62405601
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile
SMILESCCC(Nc1nc(C)ccc1C#N)C1CCCCC1
InChIInChI=1S/C16H23N3/c1-3-15(13-7-5-4-6-8-13)19-16-14(11-17)10-9-12(2)18-16/h9-10,13,15H,3-8H2,1-2H3,(H,18,19)
InChIKeyCBYINKQSPYPOBD-UHFFFAOYSA-N
XLogP4.03
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-cyclohexylpropylamino)-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

2-[(2-amino-1-cyclopropylethyl)amino]-6-methylpyridine-3-carbonitrile
CID 65193804
2-(1-cyclohexylpropylamino)-5-fluorobenzonitrile
CID 55234496
4-bromo-2-(1-cyclohexylpropylamino)benzonitrile
CID 114901777
2-(but-3-yn-2-ylamino)-6-methylpyridine-3-carbonitrile
CID 114417379
2-(1-cyclohexylpropylamino)-4,6-dimethylpyridine-3-carboxylic acid
CID 63539189
N-(1-cyclohexylpropyl)-3-methylpyrazin-2-amine
CID 83064592
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-6-methylpyridine-3-carbonitrile
CID 114010626
2-[(2,2-dimethylcyclopropyl)amino]-6-methylpyridine-3-carbonitrile
CID 55135561
6-chloro-N-(1-cyclohexylpropyl)-2,5-dimethylpyrimidin-4-amine
CID 63728869
2-[(3,5-dimethylcyclohexyl)amino]-6-methylpyridine-3-carbonitrile
CID 64734058
6-methyl-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carbonitrile
CID 62663569
3-amino-4-(1-cyclohexylpropylamino)benzonitrile
CID 62405724

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile (CID 62405601) is 2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile is CCC(Nc1nc(C)ccc1C#N)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile?
The InChIKey is CBYINKQSPYPOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-15(13-7-5-4-6-8-13)19-16-14(11-17)10-9-12(2)18-16/h9-10,13,15H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile?
2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile has a molecular weight of 257.38 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpropylamino)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 62405601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).