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

C17H17N3O2 — CID 85485431

IUPAC4-(3,4-dimethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCOc1ccc(C2C(C#N)=C(C)N=C(C)C2C#N)cc1OC
InChIInChI=1S/C17H17N3O2/c1-10-13(8-18)17(14(9-19)11(2)20-10)12-5-6-15(21-3)16(7-12)22-4/h5-7,13,17H,1-4H3
InChIKeySARAHZOTOCJBEU-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.20
Rot. Bonds3

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

4-(3,4-dimethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 85485431) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID85485431
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-(3,4-dimethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
SMILESCOc1ccc(C2C(C#N)=C(C)N=C(C)C2C#N)cc1OC
InChIInChI=1S/C17H17N3O2/c1-10-13(8-18)17(14(9-19)11(2)20-10)12-5-6-15(21-3)16(7-12)22-4/h5-7,13,17H,1-4H3
InChIKeySARAHZOTOCJBEU-UHFFFAOYSA-N
XLogP3.20
TPSA78.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-(4-ethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
CID 7392623
4-(3-ethoxy-1H-indazol-5-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile
CID 91016224
2,6-dimethyl-4-(3-methylsulfonyl-2H-indazol-5-yl)-3,4-dihydropyridine-3,5-dicarbonitrile
CID 91470733
tert-butyl 3-amino-5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)indazole-1-carboxylate
CID 91107843
N-[5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-1H-indazol-3-yl]benzamide
CID 91070014
(3S,4S)-4-(3,4-dimethoxyphenyl)-2-oxo-6-sulfanyl-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile;4-methylmorpholine
CID 16727027
3-(3,4-dimethoxyphenyl)cyclopropane-1,1,2,2-tetracarbonitrile
CID 3352701
methyl 6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-4H-pyran-3-carboxylate
CID 2893094
2,6-dimethyl-4-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-5-yl]-3,4-dihydropyridine-3,5-dicarbonitrile
CID 91513057
3-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-N-(2-piperidin-4-ylethyl)benzamide
CID 91112447
(4R)-4-(2-bromo-5-hydroxy-4-methoxyphenyl)-3-cyano-2,6-dimethyl-3,4-dihydropyridine-5-carboxamide
CID 7809392
(4S)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-3,4-dihydroindeno[1,2-b]pyridine-3-carbonitrile
CID 6984197

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile (CID 85485431) is 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is COc1ccc(C2C(C#N)=C(C)N=C(C)C2C#N)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is SARAHZOTOCJBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-10-13(8-18)17(14(9-19)11(2)20-10)12-5-6-15(21-3)16(7-12)22-4/h5-7,13,17H,1-4H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile?
4-(3,4-dimethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 295.34 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 85485431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).