2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-3,4-dihydropyridine-3,5-dicarbonitrile

C20H16N4 — CID 90745418

IUPAC2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)C(c2cccc(-c3cccnc3)c2)C1C#N
InChIInChI=1S/C20H16N4/c1-13-18(10-21)20(19(11-22)14(2)24-13)16-6-3-5-15(9-16)17-7-4-8-23-12-17/h3-9,12,18,20H,1-2H3
InChIKeyOCXMSOLITAOWJE-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.24
Rot. Bonds2

About 2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-3,4-dihydropyridine-3,5-dicarbonitrile

2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-3,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 90745418) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-3,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-3,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID90745418
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=NC(C)=C(C#N)C(c2cccc(-c3cccnc3)c2)C1C#N
InChIInChI=1S/C20H16N4/c1-13-18(10-21)20(19(11-22)14(2)24-13)16-6-3-5-15(9-16)17-7-4-8-23-12-17/h3-9,12,18,20H,1-2H3
InChIKeyOCXMSOLITAOWJE-UHFFFAOYSA-N
XLogP4.24
TPSA72.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-amino-2-pyridinyl)-3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)benzamide
CID 90748739
2,6-dimethyl-4-(3-methylsulfonyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile
CID 91470733
methylidenephosphane;3-(3-methylphenyl)pyridine
CID 144875841
2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile
CID 91513057
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
ethylphosphane;3-(3-methylphenyl)pyridine
CID 144632052
cyclopenta[c]azepine
CID 638010
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
2,5-dipyridin-3-ylbenzonitrile
CID 46316425
1-phenyl-2-(3-pyridin-3-ylphenyl)hydrazine
CID 162041560
3-azulen-6-ylpyridine
CID 86232079
3-(3-pyridin-3-ylphenyl)pyridine;4-(3-pyridin-4-ylphenyl)pyridine
CID 158129947

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-3,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-3,4-dihydropyridine-3,5-dicarbonitrile (CID 90745418) is 2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-3,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-3,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-3,4-dihydropyridine-3,5-dicarbonitrile is CC1=NC(C)=C(C#N)C(c2cccc(-c3cccnc3)c2)C1C#N.
What is the InChIKey of 2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-3,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is OCXMSOLITAOWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-13-18(10-21)20(19(11-22)14(2)24-13)16-6-3-5-15(9-16)17-7-4-8-23-12-17/h3-9,12,18,20H,1-2H3.
What are the key properties of 2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-3,4-dihydropyridine-3,5-dicarbonitrile?
2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-3,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 312.38 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(3-pyridin-3-ylphenyl)-3,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 90745418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).