4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile

C17H25N3O — CID 139383197

IUPAC4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile
SMILESCOC1(c2ccnc(C#N)c2)C(C)CCCC1CN(C)C
InChIInChI=1S/C17H25N3O/c1-13-6-5-7-15(12-20(2)3)17(13,21-4)14-8-9-19-16(10-14)11-18/h8-10,13,15H,5-7,12H2,1-4H3
InChIKeyLWBDQRRCNYTWBF-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.79
Rot. Bonds4

About 4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile

4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile (PubChem CID 139383197) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile
PubChem CID139383197
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile
SMILESCOC1(c2ccnc(C#N)c2)C(C)CCCC1CN(C)C
InChIInChI=1S/C17H25N3O/c1-13-6-5-7-15(12-20(2)3)17(13,21-4)14-8-9-19-16(10-14)11-18/h8-10,13,15H,5-7,12H2,1-4H3
InChIKeyLWBDQRRCNYTWBF-UHFFFAOYSA-N
XLogP2.79
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1R,5S)-3-cyclopentyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carbonitrile
CID 139367921
4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde
CID 139383604
4-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 63883628
3-benzyl-9-(2-isocyano-4-pyridinyl)-9-methoxy-3-azabicyclo[3.3.1]nonane;4-(3-benzyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carbonitrile
CID 157456551
4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile
CID 62491803
4-[[methyl(piperidin-3-yl)amino]methyl]pyridine-2-carbonitrile
CID 63880611
2-[cyclobutylmethyl(methyl)amino]pyrimidine-4-carbonitrile
CID 107544379
4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 62979748
4-cyclobutyloxypyridine-2-carbonitrile
CID 62937286
4-[(2-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 62925361
4-[methyl(piperidin-4-ylmethyl)amino]pyridine-2-carbonitrile;hydrochloride
CID 69426314
4-cyclopentyloxypyridine-2-carbonitrile
CID 62936068

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile (CID 139383197) is 4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile is COC1(c2ccnc(C#N)c2)C(C)CCCC1CN(C)C.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile?
The InChIKey is LWBDQRRCNYTWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-6-5-7-15(12-20(2)3)17(13,21-4)14-8-9-19-16(10-14)11-18/h8-10,13,15H,5-7,12H2,1-4H3.
What are the key properties of 4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile?
4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile has a molecular weight of 287.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile is sourced from PubChem (CID 139383197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).