dimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate

C18H21NO5 — CID 10616481

IUPACdimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(c2ccc(OC)cc2)C(C(=O)OC)=C1C
InChIInChI=1S/C18H21NO5/c1-10-14(17(20)23-4)11(2)19-16(15(10)18(21)24-5)12-6-8-13(22-3)9-7-12/h6-9,16,19H,1-5H3
InChIKeyVKWFVTHEPHJURU-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.28
Rot. Bonds4

About dimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate

dimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate (PubChem CID 10616481) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is dimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate
PubChem CID10616481
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Namedimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(c2ccc(OC)cc2)C(C(=O)OC)=C1C
InChIInChI=1S/C18H21NO5/c1-10-14(17(20)23-4)11(2)19-16(15(10)18(21)24-5)12-6-8-13(22-3)9-7-12/h6-9,16,19H,1-5H3
InChIKeyVKWFVTHEPHJURU-UHFFFAOYSA-N
XLogP2.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 677732
dimethyl (2S)-2-(2-hydroxynaphthalen-1-yl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate
CID 1098878
methyl (4S)-4-(6-methoxynaphthalen-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8810966
dimethyl (2R)-4,6-dimethyl-2-(2-nitrophenyl)-1,2-dihydropyridine-3,5-dicarboxylate
CID 779837
methyl 6-ethyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 10755910
propan-2-yl (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 692892
propan-2-yl 4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2829425
methyl (4S)-6-[(4-methoxyphenoxy)methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7457559
methyl 6-methyl-4-(4-propan-2-yloxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2885629
5-O-tert-butyl 3-O-methyl 4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 46914021
methyl 3-(4-methoxyphenyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 18171059
(4S)-4-(4-methoxyphenyl)-N,6-dimethyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 701436

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate (CID 10616481) is dimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(c2ccc(OC)cc2)C(C(=O)OC)=C1C.
What is the InChIKey of dimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate?
The InChIKey is VKWFVTHEPHJURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-10-14(17(20)23-4)11(2)19-16(15(10)18(21)24-5)12-6-8-13(22-3)9-7-12/h6-9,16,19H,1-5H3.
What are the key properties of dimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate?
dimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate has a molecular weight of 331.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(4-methoxyphenyl)-4,6-dimethyl-1,2-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 10616481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).