methyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate

C19H19N3O4 — CID 2818298

IUPACmethyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)cc(OC)c1C1C(C#N)=C(C)NC(C)=C1C#N
InChIInChI=1S/C19H19N3O4/c1-10-14(8-20)17(15(9-21)11(2)22-10)18-13(19(23)26-5)6-12(24-3)7-16(18)25-4/h6-7,17,22H,1-5H3
InChIKeyZJZUKOVDMRPJIF-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.77
Rot. Bonds4

About methyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate

methyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate (PubChem CID 2818298) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is methyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate
PubChem CID2818298
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Namemethyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)cc(OC)c1C1C(C#N)=C(C)NC(C)=C1C#N
InChIInChI=1S/C19H19N3O4/c1-10-14(8-20)17(15(9-21)11(2)22-10)18-13(19(23)26-5)6-12(24-3)7-16(18)25-4/h6-7,17,22H,1-5H3
InChIKeyZJZUKOVDMRPJIF-UHFFFAOYSA-N
XLogP2.77
TPSA104.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl (4R)-5-cyano-4-(2,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 31140096
methyl 2-(1,3-dioxolan-2-yl)-3,5-dimethoxybenzoate
CID 170874053
methyl 2-[(4R)-3-cyano-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinolin-4-yl]-3,5-dimethoxybenzoate
CID 7201466
methyl 2-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3,5-dimethoxybenzoate
CID 169393810
methyl 3-bromo-2-cyano-5-methoxybenzoate
CID 131390372
dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
CID 91737513
methyl 2-(2-cyano-6-methoxybenzoyl)-3,5-dimethoxybenzoate
CID 10760652
4-(5-bromo-2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 4626180
methyl 5-cyano-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 70323527
4-(5-bromo-2,3-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 4131877
methyl 3,5-dimethoxy-2-propanoylbenzoate
CID 6710788
(E)-3-(2,4-dimethoxy-6-methoxycarbonylphenyl)-2-methylprop-2-enoic acid
CID 170873197

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate?
The IUPAC name of methyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate (CID 2818298) is methyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate is COC(=O)c1cc(OC)cc(OC)c1C1C(C#N)=C(C)NC(C)=C1C#N.
What is the InChIKey of methyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate?
The InChIKey is ZJZUKOVDMRPJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-10-14(8-20)17(15(9-21)11(2)22-10)18-13(19(23)26-5)6-12(24-3)7-16(18)25-4/h6-7,17,22H,1-5H3.
What are the key properties of methyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate?
methyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate has a molecular weight of 353.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-3,5-dimethoxybenzoate is sourced from PubChem (CID 2818298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).