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

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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).