2-(3-methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile

C15H15N3O — CID 750162

IUPAC2-(3-methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1cccc(Nc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C15H15N3O/c1-10-7-11(2)17-15(14(10)9-16)18-12-5-4-6-13(8-12)19-3/h4-8H,1-3H3,(H,17,18)
InChIKeyKLXFUSPPQJNBJT-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.32
Rot. Bonds3

About 2-(3-methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile

2-(3-methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 750162) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID750162
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(3-methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCOc1cccc(Nc2nc(C)cc(C)c2C#N)c1
InChIInChI=1S/C15H15N3O/c1-10-7-11(2)17-15(14(10)9-16)18-12-5-4-6-13(8-12)19-3/h4-8H,1-3H3,(H,17,18)
InChIKeyKLXFUSPPQJNBJT-UHFFFAOYSA-N
XLogP3.32
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile (CID 750162) is 2-(3-methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile is COc1cccc(Nc2nc(C)cc(C)c2C#N)c1.
What is the InChIKey of 2-(3-methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is KLXFUSPPQJNBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-7-11(2)17-15(14(10)9-16)18-12-5-4-6-13(8-12)19-3/h4-8H,1-3H3,(H,17,18).
What are the key properties of 2-(3-methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile?
2-(3-methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 750162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).