2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile

C15H21N3O — CID 62526707

IUPAC2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NC2(CO)CCCC(C)C2)n1
InChIInChI=1S/C15H21N3O/c1-11-4-3-7-15(8-11,10-19)18-14-13(9-16)6-5-12(2)17-14/h5-6,11,19H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyIKCMJILLGCSQDW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.61
Rot. Bonds3

About 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile

2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile (PubChem CID 62526707) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile
PubChem CID62526707
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NC2(CO)CCCC(C)C2)n1
InChIInChI=1S/C15H21N3O/c1-11-4-3-7-15(8-11,10-19)18-14-13(9-16)6-5-12(2)17-14/h5-6,11,19H,3-4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyIKCMJILLGCSQDW-UHFFFAOYSA-N
XLogP2.61
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile (CID 62526707) is 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(NC2(CO)CCCC(C)C2)n1.
What is the InChIKey of 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile?
The InChIKey is IKCMJILLGCSQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-4-3-7-15(8-11,10-19)18-14-13(9-16)6-5-12(2)17-14/h5-6,11,19H,3-4,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile?
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 62526707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).