2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile

C20H17N3 — CID 4633808

IUPAC2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
SMILESCc1nc(N)c(C#N)c(-c2ccc(-c3ccccc3)cc2)c1C
InChIInChI=1S/C20H17N3/c1-13-14(2)23-20(22)18(12-21)19(13)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,22,23)
InChIKeyHAWJYAGERKCBAN-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.49
Rot. Bonds2

About 2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile

2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile (PubChem CID 4633808) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
PubChem CID4633808
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
SMILESCc1nc(N)c(C#N)c(-c2ccc(-c3ccccc3)cc2)c1C
InChIInChI=1S/C20H17N3/c1-13-14(2)23-20(22)18(12-21)19(13)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,22,23)
InChIKeyHAWJYAGERKCBAN-UHFFFAOYSA-N
XLogP4.49
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(4-fluorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 932580
2-amino-5,6-dimethyl-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633632
2-amino-5,6-dimethyl-4-(4-nitrophenyl)pyridine-3-carbonitrile
CID 4633797
2-amino-5,6-dimethyl-4-[4-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 4633998
2-amino-4-(2-hydroxyphenyl)-6-methyl-5-phenylpyridine-3-carbonitrile
CID 137127538
2-amino-5,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 4633633
2-amino-4-(2,6-dichlorophenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 4633995
2-amino-4-(4-hydroxy-3-methoxyphenyl)-5,6-dimethylpyridine-3-carbonitrile
CID 856296
2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile
CID 7289453
4-amino-2,6-dimethyl-5-phenylpyridine-3-carbonitrile
CID 69458683
2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 3324008
4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile
CID 91973425

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile (CID 4633808) is 2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile is Cc1nc(N)c(C#N)c(-c2ccc(-c3ccccc3)cc2)c1C.
What is the InChIKey of 2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile?
The InChIKey is HAWJYAGERKCBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-13-14(2)23-20(22)18(12-21)19(13)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,22,23).
What are the key properties of 2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile?
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile has a molecular weight of 299.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 4633808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).