methyl 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylate

C23H24N2O4 — CID 11731932

IUPACmethyl 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O
InChIInChI=1S/C23H24N2O4/c1-24(2)17-10-6-16(7-11-17)21-19(15-8-12-18(28-4)13-9-15)14-20(23(27)29-5)22(26)25(21)3/h6-14H,1-5H3
InChIKeyVWGBBXVMMXEXDG-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.58
Rot. Bonds5

About methyl 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylate

methyl 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylate (PubChem CID 11731932) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is methyl 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylate
PubChem CID11731932
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Namemethyl 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O
InChIInChI=1S/C23H24N2O4/c1-24(2)17-10-6-16(7-11-17)21-19(15-8-12-18(28-4)13-9-15)14-20(23(27)29-5)22(26)25(21)3/h6-14H,1-5H3
InChIKeyVWGBBXVMMXEXDG-UHFFFAOYSA-N
XLogP3.58
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylate (CID 11731932) is methyl 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylate is COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O.
What is the InChIKey of methyl 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylate?
The InChIKey is VWGBBXVMMXEXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-24(2)17-10-6-16(7-11-17)21-19(15-8-12-18(28-4)13-9-15)14-20(23(27)29-5)22(26)25(21)3/h6-14H,1-5H3.
What are the key properties of methyl 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylate?
methyl 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(dimethylamino)phenyl]-5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 11731932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).