2-[(4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile

C16H17N3O — CID 975783

IUPAC2-[(4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccc(CNc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C16H17N3O/c1-11-8-12(2)19-16(15(11)9-17)18-10-13-4-6-14(20-3)7-5-13/h4-8H,10H2,1-3H3,(H,18,19)
InChIKeyRITHLVDLOSGTNG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.19
Rot. Bonds4

About 2-[(4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile

2-[(4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 975783) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID975783
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[(4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccc(CNc2nc(C)cc(C)c2C#N)cc1
InChIInChI=1S/C16H17N3O/c1-11-8-12(2)19-16(15(11)9-17)18-10-13-4-6-14(20-3)7-5-13/h4-8H,10H2,1-3H3,(H,18,19)
InChIKeyRITHLVDLOSGTNG-UHFFFAOYSA-N
XLogP3.19
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile 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-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile (CID 975783) is 2-[(4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is COc1ccc(CNc2nc(C)cc(C)c2C#N)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is RITHLVDLOSGTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-8-12(2)19-16(15(11)9-17)18-10-13-4-6-14(20-3)7-5-13/h4-8H,10H2,1-3H3,(H,18,19).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile?
2-[(4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 975783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).