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

C25H19N3O — CID 3360693

IUPAC2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile
SMILESCOc1ccc(Nc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C25H19N3O/c1-29-21-14-12-20(13-15-21)27-25-23(17-26)22(18-8-4-2-5-9-18)16-24(28-25)19-10-6-3-7-11-19/h2-16H,1H3,(H,27,28)
InChIKeyYBFKCMDDPCXARH-UHFFFAOYSA-N
MW377.45 g/mol
LogP6.04
Rot. Bonds5

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

2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile (PubChem CID 3360693) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile
PubChem CID3360693
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile
SMILESCOc1ccc(Nc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C25H19N3O/c1-29-21-14-12-20(13-15-21)27-25-23(17-26)22(18-8-4-2-5-9-18)16-24(28-25)19-10-6-3-7-11-19/h2-16H,1H3,(H,27,28)
InChIKeyYBFKCMDDPCXARH-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-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile?
The IUPAC name of 2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile (CID 3360693) is 2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile is COc1ccc(Nc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile?
The InChIKey is YBFKCMDDPCXARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c1-29-21-14-12-20(13-15-21)27-25-23(17-26)22(18-8-4-2-5-9-18)16-24(28-25)19-10-6-3-7-11-19/h2-16H,1H3,(H,27,28).
What are the key properties of 2-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile?
2-(4-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-(4-methoxyanilino)-4,6-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 3360693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).