2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile

C16H18N4 — CID 660897

IUPAC2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile
SMILESCc1cc(N(C)C)c(C#N)c(NCc2ccccc2)n1
InChIInChI=1S/C16H18N4/c1-12-9-15(20(2)3)14(10-17)16(19-12)18-11-13-7-5-4-6-8-13/h4-9H,11H2,1-3H3,(H,18,19)
InChIKeyNKIDELMZCLMHBH-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.94
Rot. Bonds4

About 2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile

2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile (PubChem CID 660897) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile
PubChem CID660897
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile
SMILESCc1cc(N(C)C)c(C#N)c(NCc2ccccc2)n1
InChIInChI=1S/C16H18N4/c1-12-9-15(20(2)3)14(10-17)16(19-12)18-11-13-7-5-4-6-8-13/h4-9H,11H2,1-3H3,(H,18,19)
InChIKeyNKIDELMZCLMHBH-UHFFFAOYSA-N
XLogP2.94
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile (CID 660897) is 2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile is Cc1cc(N(C)C)c(C#N)c(NCc2ccccc2)n1.
What is the InChIKey of 2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile?
The InChIKey is NKIDELMZCLMHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-12-9-15(20(2)3)14(10-17)16(19-12)18-11-13-7-5-4-6-8-13/h4-9H,11H2,1-3H3,(H,18,19).
What are the key properties of 2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile?
2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4-(dimethylamino)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 660897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).