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

C21H19N3 — CID 102125878

IUPAC2-(3,5-dimethylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile
SMILESCc1cc(C)cc(Nc2nc(C)c(-c3ccccc3)cc2C#N)c1
InChIInChI=1S/C21H19N3/c1-14-9-15(2)11-19(10-14)24-21-18(13-22)12-20(16(3)23-21)17-7-5-4-6-8-17/h4-12H,1-3H3,(H,23,24)
InChIKeyJHTIZTJUILGBKV-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.29
Rot. Bonds3

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

2-(3,5-dimethylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile (PubChem CID 102125878) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile
PubChem CID102125878
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name2-(3,5-dimethylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile
SMILESCc1cc(C)cc(Nc2nc(C)c(-c3ccccc3)cc2C#N)c1
InChIInChI=1S/C21H19N3/c1-14-9-15(2)11-19(10-14)24-21-18(13-22)12-20(16(3)23-21)17-7-5-4-6-8-17/h4-12H,1-3H3,(H,23,24)
InChIKeyJHTIZTJUILGBKV-UHFFFAOYSA-N
XLogP5.29
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ST001233
CID 610514
2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
2-Amino-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
CID 695136
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
NOS Inhibitor, 3h
CID 46892701
6-(2-{3-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]phenyl}ethyl)-4-Methylpyridin-2-Amine
CID 46892821
6,6'-[(5-Aminobenzene-1,3-Diyl)diethane-2,1-Diyl]bis(4-Methylpyridin-2-Amine)
CID 49852670
3,5-Bis[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]benzonitrile
CID 71254035
3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]-5-{2-[4-Methyl-6-(Methylamino)pyridin-2-Yl]ethyl}benzonitrile
CID 86346620
3-(2-(6-Amino-4-Methylpyridin-2-Yl)ethyl)-5-(Methyl(2-(Methylamino)ethyl)amino)benzonitrile
CID 91808026

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-(3,5-dimethylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile (CID 102125878) is 2-(3,5-dimethylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,5-dimethylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3,5-dimethylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile is Cc1cc(C)cc(Nc2nc(C)c(-c3ccccc3)cc2C#N)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile?
The InChIKey is JHTIZTJUILGBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-14-9-15(2)11-19(10-14)24-21-18(13-22)12-20(16(3)23-21)17-7-5-4-6-8-17/h4-12H,1-3H3,(H,23,24).
What are the key properties of 2-(3,5-dimethylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile?
2-(3,5-dimethylanilino)-6-methyl-5-phenylpyridine-3-carbonitrile has a molecular weight of 313.40 g/mol, XLogP of 5.29, 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-methyl-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 102125878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).