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

C25H19N3 — CID 3439402

IUPAC2-(benzylamino)-4,6-diphenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1NCc1ccccc1
InChIInChI=1S/C25H19N3/c26-17-23-22(20-12-6-2-7-13-20)16-24(21-14-8-3-9-15-21)28-25(23)27-18-19-10-4-1-5-11-19/h1-16H,18H2,(H,27,28)
InChIKeyAWELIHFLRURHCR-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.90
Rot. Bonds5

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

2-(benzylamino)-4,6-diphenylpyridine-3-carbonitrile (PubChem CID 3439402) has the molecular formula C25H19N3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(benzylamino)-4,6-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(benzylamino)-4,6-diphenylpyridine-3-carbonitrile
PubChem CID3439402
Molecular FormulaC25H19N3
Molecular Weight361.45 g/mol
Exact Mass361.16
IUPAC Name2-(benzylamino)-4,6-diphenylpyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1NCc1ccccc1
InChIInChI=1S/C25H19N3/c26-17-23-22(20-12-6-2-7-13-20)16-24(21-14-8-3-9-15-21)28-25(23)27-18-19-10-4-1-5-11-19/h1-16H,18H2,(H,27,28)
InChIKeyAWELIHFLRURHCR-UHFFFAOYSA-N
XLogP5.90
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4,6-diphenylpyridine-3-carbonitrile?
The IUPAC name of 2-(benzylamino)-4,6-diphenylpyridine-3-carbonitrile (CID 3439402) is 2-(benzylamino)-4,6-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(benzylamino)-4,6-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(benzylamino)-4,6-diphenylpyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-4,6-diphenylpyridine-3-carbonitrile?
The InChIKey is AWELIHFLRURHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3/c26-17-23-22(20-12-6-2-7-13-20)16-24(21-14-8-3-9-15-21)28-25(23)27-18-19-10-4-1-5-11-19/h1-16H,18H2,(H,27,28).
What are the key properties of 2-(benzylamino)-4,6-diphenylpyridine-3-carbonitrile?
2-(benzylamino)-4,6-diphenylpyridine-3-carbonitrile has a molecular weight of 361.45 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4,6-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 3439402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).