6-amino-2-anilino-4,5-diphenylpyridine-3-carbonitrile

C24H18N4 — CID 12831486

IUPAC6-amino-2-anilino-4,5-diphenylpyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)nc(N)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H18N4/c25-16-20-21(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(26)28-24(20)27-19-14-8-3-9-15-19/h1-15H,(H3,26,27,28)
InChIKeyMZCCJOCFFWMODG-UHFFFAOYSA-N
MW362.44 g/mol
LogP5.61
Rot. Bonds4

About 6-amino-2-anilino-4,5-diphenylpyridine-3-carbonitrile

6-amino-2-anilino-4,5-diphenylpyridine-3-carbonitrile (PubChem CID 12831486) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is 6-amino-2-anilino-4,5-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-2-anilino-4,5-diphenylpyridine-3-carbonitrile
PubChem CID12831486
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name6-amino-2-anilino-4,5-diphenylpyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)nc(N)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H18N4/c25-16-20-21(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(26)28-24(20)27-19-14-8-3-9-15-19/h1-15H,(H3,26,27,28)
InChIKeyMZCCJOCFFWMODG-UHFFFAOYSA-N
XLogP5.61
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-anilino-4,5-diphenylpyridine-3-carbonitrile?
The IUPAC name of 6-amino-2-anilino-4,5-diphenylpyridine-3-carbonitrile (CID 12831486) is 6-amino-2-anilino-4,5-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-2-anilino-4,5-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 6-amino-2-anilino-4,5-diphenylpyridine-3-carbonitrile is N#Cc1c(Nc2ccccc2)nc(N)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 6-amino-2-anilino-4,5-diphenylpyridine-3-carbonitrile?
The InChIKey is MZCCJOCFFWMODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4/c25-16-20-21(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)23(26)28-24(20)27-19-14-8-3-9-15-19/h1-15H,(H3,26,27,28).
What are the key properties of 6-amino-2-anilino-4,5-diphenylpyridine-3-carbonitrile?
6-amino-2-anilino-4,5-diphenylpyridine-3-carbonitrile has a molecular weight of 362.44 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-anilino-4,5-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 12831486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).