dimethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate

C19H23NO6 — CID 3677401

IUPACdimethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
SMILESC=C1NC(C)=C(C(=O)OC)C(c2cc(OC)ccc2OC)C1C(=O)OC
InChIInChI=1S/C19H23NO6/c1-10-15(18(21)25-5)17(16(11(2)20-10)19(22)26-6)13-9-12(23-3)7-8-14(13)24-4/h7-9,15,17,20H,1H2,2-6H3
InChIKeyOBBNQQFDKMNCSE-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.14
Rot. Bonds5

About dimethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate

dimethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate (PubChem CID 3677401) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is dimethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
PubChem CID3677401
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Namedimethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate
SMILESC=C1NC(C)=C(C(=O)OC)C(c2cc(OC)ccc2OC)C1C(=O)OC
InChIInChI=1S/C19H23NO6/c1-10-15(18(21)25-5)17(16(11(2)20-10)19(22)26-6)13-9-12(23-3)7-8-14(13)24-4/h7-9,15,17,20H,1H2,2-6H3
InChIKeyOBBNQQFDKMNCSE-UHFFFAOYSA-N
XLogP2.14
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate (CID 3677401) is dimethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate is C=C1NC(C)=C(C(=O)OC)C(c2cc(OC)ccc2OC)C1C(=O)OC.
What is the InChIKey of dimethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate?
The InChIKey is OBBNQQFDKMNCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-10-15(18(21)25-5)17(16(11(2)20-10)19(22)26-6)13-9-12(23-3)7-8-14(13)24-4/h7-9,15,17,20H,1H2,2-6H3.
What are the key properties of dimethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate?
dimethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate has a molecular weight of 361.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-methylidene-3,4-dihydro-1H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 3677401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).