2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile

C16H24N4 — CID 61210617

IUPAC2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile
SMILESCC1CCCC(CNc2cc(C#N)ccn2)(N(C)C)C1
InChIInChI=1S/C16H24N4/c1-13-5-4-7-16(10-13,20(2)3)12-19-15-9-14(11-17)6-8-18-15/h6,8-9,13H,4-5,7,10,12H2,1-3H3,(H,18,19)
InChIKeyHCBYJXGQHXZKOE-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.88
Rot. Bonds4

About 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile

2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile (PubChem CID 61210617) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile
PubChem CID61210617
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile
SMILESCC1CCCC(CNc2cc(C#N)ccn2)(N(C)C)C1
InChIInChI=1S/C16H24N4/c1-13-5-4-7-16(10-13,20(2)3)12-19-15-9-14(11-17)6-8-18-15/h6,8-9,13H,4-5,7,10,12H2,1-3H3,(H,18,19)
InChIKeyHCBYJXGQHXZKOE-UHFFFAOYSA-N
XLogP2.88
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile (CID 61210617) is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile is CC1CCCC(CNc2cc(C#N)ccn2)(N(C)C)C1.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile?
The InChIKey is HCBYJXGQHXZKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13-5-4-7-16(10-13,20(2)3)12-19-15-9-14(11-17)6-8-18-15/h6,8-9,13H,4-5,7,10,12H2,1-3H3,(H,18,19).
What are the key properties of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile?
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile has a molecular weight of 272.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 61210617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).