2-(3,5-dimethylanilino)-6-phenylpyridine-3-carbonitrile

C20H17N3 — CID 164912160

IUPAC2-(3,5-dimethylanilino)-6-phenylpyridine-3-carbonitrile
SMILESCc1cc(C)cc(Nc2nc(-c3ccccc3)ccc2C#N)c1
InChIInChI=1S/C20H17N3/c1-14-10-15(2)12-18(11-14)22-20-17(13-21)8-9-19(23-20)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,22,23)
InChIKeyWHPQXQHYEMHWDY-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.98
Rot. Bonds3

About 2-(3,5-dimethylanilino)-6-phenylpyridine-3-carbonitrile

2-(3,5-dimethylanilino)-6-phenylpyridine-3-carbonitrile (PubChem CID 164912160) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-6-phenylpyridine-3-carbonitrile
PubChem CID164912160
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name2-(3,5-dimethylanilino)-6-phenylpyridine-3-carbonitrile
SMILESCc1cc(C)cc(Nc2nc(-c3ccccc3)ccc2C#N)c1
InChIInChI=1S/C20H17N3/c1-14-10-15(2)12-18(11-14)22-20-17(13-21)8-9-19(23-20)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,22,23)
InChIKeyWHPQXQHYEMHWDY-UHFFFAOYSA-N
XLogP4.98
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
ST001233
CID 610514
2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
2-Amino-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
CID 695136
4-Amino-2,6-diphenylpyrimidine-5-carbonitrile
CID 2303947
4-(Methylamino)-2,6-diphenylpyrimidine-5-carbonitrile
CID 1480496
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)benzonitrile
CID 11256439
N-(4-amino-5-cyano-6-phenylpyridin-2-yl)acetamide
CID 11658882
NOS Inhibitor, 3h
CID 46892701
6-(2-{3-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]phenyl}ethyl)-4-Methylpyridin-2-Amine
CID 46892821

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-(3,5-dimethylanilino)-6-phenylpyridine-3-carbonitrile (CID 164912160) is 2-(3,5-dimethylanilino)-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,5-dimethylanilino)-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3,5-dimethylanilino)-6-phenylpyridine-3-carbonitrile is Cc1cc(C)cc(Nc2nc(-c3ccccc3)ccc2C#N)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-6-phenylpyridine-3-carbonitrile?
The InChIKey is WHPQXQHYEMHWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-14-10-15(2)12-18(11-14)22-20-17(13-21)8-9-19(23-20)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,22,23).
What are the key properties of 2-(3,5-dimethylanilino)-6-phenylpyridine-3-carbonitrile?
2-(3,5-dimethylanilino)-6-phenylpyridine-3-carbonitrile has a molecular weight of 299.38 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 164912160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).