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

C25H19N3O — CID 3966942

IUPAC2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile
SMILESCOc1ccccc1Nc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C25H19N3O/c1-29-24-15-9-8-14-22(24)27-25-21(17-26)20(18-10-4-2-5-11-18)16-23(28-25)19-12-6-3-7-13-19/h2-16H,1H3,(H,27,28)
InChIKeyWGZJKVWDQKJKFW-UHFFFAOYSA-N
MW377.45 g/mol
LogP6.04
Rot. Bonds5

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

2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile (PubChem CID 3966942) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile
PubChem CID3966942
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile
SMILESCOc1ccccc1Nc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C25H19N3O/c1-29-24-15-9-8-14-22(24)27-25-21(17-26)20(18-10-4-2-5-11-18)16-23(28-25)19-12-6-3-7-13-19/h2-16H,1H3,(H,27,28)
InChIKeyWGZJKVWDQKJKFW-UHFFFAOYSA-N
XLogP6.04
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile (CID 3966942) is 2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile is COc1ccccc1Nc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N.
What is the InChIKey of 2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile?
The InChIKey is WGZJKVWDQKJKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c1-29-24-15-9-8-14-22(24)27-25-21(17-26)20(18-10-4-2-5-11-18)16-23(28-25)19-12-6-3-7-13-19/h2-16H,1H3,(H,27,28).
What are the key properties of 2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile?
2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile has a molecular weight of 377.45 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 3966942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).