ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate

C23H22N2O4 — CID 110382640

IUPACethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cccn(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C23H22N2O4/c1-3-29-23(28)18-7-4-5-9-20(18)24-21(26)19-8-6-14-25(22(19)27)15-17-12-10-16(2)11-13-17/h4-14H,3,15H2,1-2H3,(H,24,26)
InChIKeyQQGGWTJXPDNDIR-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.63
Rot. Bonds6

About ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate

ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate (PubChem CID 110382640) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
PubChem CID110382640
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Nameethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cccn(Cc2ccc(C)cc2)c1=O
InChIInChI=1S/C23H22N2O4/c1-3-29-23(28)18-7-4-5-9-20(18)24-21(26)19-8-6-14-25(22(19)27)15-17-12-10-16(2)11-13-17/h4-14H,3,15H2,1-2H3,(H,24,26)
InChIKeyQQGGWTJXPDNDIR-UHFFFAOYSA-N
XLogP3.63
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597894
N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598726
1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide
CID 26843761
N-(2,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382915
N-(2-ethoxyphenyl)-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 26843723
1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7422717
1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide
CID 7598033
N-(2-carbamoylphenyl)-1-[(3,5-dimethoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599441
1-[(4-methylphenyl)methyl]-N-(4-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598774
1-[(4-methylphenyl)methyl]-2-oxo-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 7422772
N-(3-bromophenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598727
N-(3-fluoro-4-methylphenyl)-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7422797

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate (CID 110382640) is ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cccn(Cc2ccc(C)cc2)c1=O.
What is the InChIKey of ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The InChIKey is QQGGWTJXPDNDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-3-29-23(28)18-7-4-5-9-20(18)24-21(26)19-8-6-14-25(22(19)27)15-17-12-10-16(2)11-13-17/h4-14H,3,15H2,1-2H3,(H,24,26).
What are the key properties of ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate has a molecular weight of 390.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 110382640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).