2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile

C16H18N4 — CID 103182511

IUPAC2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile
SMILESCc1cnc(CN(C)c2ccccc2C#N)c(C)c1N
InChIInChI=1S/C16H18N4/c1-11-9-19-14(12(2)16(11)18)10-20(3)15-7-5-4-6-13(15)8-17/h4-7,9H,10H2,1-3H3,(H2,18,19)
InChIKeyJNXIMKXIRJWOMP-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.79
Rot. Bonds3

About 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile

2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile (PubChem CID 103182511) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile
PubChem CID103182511
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile
SMILESCc1cnc(CN(C)c2ccccc2C#N)c(C)c1N
InChIInChI=1S/C16H18N4/c1-11-9-19-14(12(2)16(11)18)10-20(3)15-7-5-4-6-13(15)8-17/h4-7,9H,10H2,1-3H3,(H2,18,19)
InChIKeyJNXIMKXIRJWOMP-UHFFFAOYSA-N
XLogP2.79
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile?
The IUPAC name of 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile (CID 103182511) is 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile.
What is the SMILES notation for 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile?
The canonical SMILES for 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile is Cc1cnc(CN(C)c2ccccc2C#N)c(C)c1N.
What is the InChIKey of 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile?
The InChIKey is JNXIMKXIRJWOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-9-19-14(12(2)16(11)18)10-20(3)15-7-5-4-6-13(15)8-17/h4-7,9H,10H2,1-3H3,(H2,18,19).
What are the key properties of 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile?
2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile is sourced from PubChem (CID 103182511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).