methyl 6-[4-(dimethylamino)phenyl]-1-methyl-2-oxo-5-phenylpyridine-3-carboxylate

C22H22N2O3 — CID 11078961

IUPACmethyl 6-[4-(dimethylamino)phenyl]-1-methyl-2-oxo-5-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O
InChIInChI=1S/C22H22N2O3/c1-23(2)17-12-10-16(11-13-17)20-18(15-8-6-5-7-9-15)14-19(22(26)27-4)21(25)24(20)3/h5-14H,1-4H3
InChIKeyHVJGMCGDOFRWHL-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.57
Rot. Bonds4

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

methyl 6-[4-(dimethylamino)phenyl]-1-methyl-2-oxo-5-phenylpyridine-3-carboxylate (PubChem CID 11078961) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 6-[4-(dimethylamino)phenyl]-1-methyl-2-oxo-5-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(dimethylamino)phenyl]-1-methyl-2-oxo-5-phenylpyridine-3-carboxylate
PubChem CID11078961
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Namemethyl 6-[4-(dimethylamino)phenyl]-1-methyl-2-oxo-5-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O
InChIInChI=1S/C22H22N2O3/c1-23(2)17-12-10-16(11-13-17)20-18(15-8-6-5-7-9-15)14-19(22(26)27-4)21(25)24(20)3/h5-14H,1-4H3
InChIKeyHVJGMCGDOFRWHL-UHFFFAOYSA-N
XLogP3.57
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(dimethylamino)phenyl]-1-methyl-2-oxo-5-phenylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[4-(dimethylamino)phenyl]-1-methyl-2-oxo-5-phenylpyridine-3-carboxylate (CID 11078961) is methyl 6-[4-(dimethylamino)phenyl]-1-methyl-2-oxo-5-phenylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-(dimethylamino)phenyl]-1-methyl-2-oxo-5-phenylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[4-(dimethylamino)phenyl]-1-methyl-2-oxo-5-phenylpyridine-3-carboxylate is COC(=O)c1cc(-c2ccccc2)c(-c2ccc(N(C)C)cc2)n(C)c1=O.
What is the InChIKey of methyl 6-[4-(dimethylamino)phenyl]-1-methyl-2-oxo-5-phenylpyridine-3-carboxylate?
The InChIKey is HVJGMCGDOFRWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-23(2)17-12-10-16(11-13-17)20-18(15-8-6-5-7-9-15)14-19(22(26)27-4)21(25)24(20)3/h5-14H,1-4H3.
What are the key properties of methyl 6-[4-(dimethylamino)phenyl]-1-methyl-2-oxo-5-phenylpyridine-3-carboxylate?
methyl 6-[4-(dimethylamino)phenyl]-1-methyl-2-oxo-5-phenylpyridine-3-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(dimethylamino)phenyl]-1-methyl-2-oxo-5-phenylpyridine-3-carboxylate is sourced from PubChem (CID 11078961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).