2,6-dianilino-4,5-dimethylpyridine-3-carbonitrile

C20H18N4 — CID 20818017

IUPAC2,6-dianilino-4,5-dimethylpyridine-3-carbonitrile
SMILESCc1c(Nc2ccccc2)nc(Nc2ccccc2)c(C#N)c1C
InChIInChI=1S/C20H18N4/c1-14-15(2)19(22-16-9-5-3-6-10-16)24-20(18(14)13-21)23-17-11-7-4-8-12-17/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyWCSMZNYVSBVTFC-UHFFFAOYSA-N
MW314.39 g/mol
LogP5.06
Rot. Bonds4

About 2,6-dianilino-4,5-dimethylpyridine-3-carbonitrile

2,6-dianilino-4,5-dimethylpyridine-3-carbonitrile (PubChem CID 20818017) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2,6-dianilino-4,5-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dianilino-4,5-dimethylpyridine-3-carbonitrile
PubChem CID20818017
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name2,6-dianilino-4,5-dimethylpyridine-3-carbonitrile
SMILESCc1c(Nc2ccccc2)nc(Nc2ccccc2)c(C#N)c1C
InChIInChI=1S/C20H18N4/c1-14-15(2)19(22-16-9-5-3-6-10-16)24-20(18(14)13-21)23-17-11-7-4-8-12-17/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyWCSMZNYVSBVTFC-UHFFFAOYSA-N
XLogP5.06
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinecarbonitrile, 4-methyl-2,6-bis[(4-methylphenyl)amino]-5-[2-[2-(trifluoromethyl)phenyl]diazenyl]-
CID 11605744
ST001233
CID 610514
2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
2-Amino-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
CID 695136
2-Amino-4,6-dimethyl-3-pyridinecarbonitrile
CID 230471
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
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
2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-4,6-dimethyl-nicotinonitrile
CID 947920
6-Amino-2,4-dimethyl-3-pyridinecarbonitrile
CID 3793299

Frequently Asked Questions

What is the IUPAC name of 2,6-dianilino-4,5-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2,6-dianilino-4,5-dimethylpyridine-3-carbonitrile (CID 20818017) is 2,6-dianilino-4,5-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dianilino-4,5-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2,6-dianilino-4,5-dimethylpyridine-3-carbonitrile is Cc1c(Nc2ccccc2)nc(Nc2ccccc2)c(C#N)c1C.
What is the InChIKey of 2,6-dianilino-4,5-dimethylpyridine-3-carbonitrile?
The InChIKey is WCSMZNYVSBVTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-14-15(2)19(22-16-9-5-3-6-10-16)24-20(18(14)13-21)23-17-11-7-4-8-12-17/h3-12H,1-2H3,(H2,22,23,24).
What are the key properties of 2,6-dianilino-4,5-dimethylpyridine-3-carbonitrile?
2,6-dianilino-4,5-dimethylpyridine-3-carbonitrile has a molecular weight of 314.39 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dianilino-4,5-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 20818017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).