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

C22H20N2O4 — CID 7597893

IUPACmethyl 4-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)cc1
InChIInChI=1S/C22H20N2O4/c1-15-6-3-4-7-17(15)14-24-13-5-8-19(21(24)26)20(25)23-18-11-9-16(10-12-18)22(27)28-2/h3-13H,14H2,1-2H3,(H,23,25)
InChIKeyPNAHOLGRORLADN-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.24
Rot. Bonds5

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

methyl 4-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate (PubChem CID 7597893) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 4-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
PubChem CID7597893
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Namemethyl 4-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)cc1
InChIInChI=1S/C22H20N2O4/c1-15-6-3-4-7-17(15)14-24-13-5-8-19(21(24)26)20(25)23-18-11-9-16(10-12-18)22(27)28-2/h3-13H,14H2,1-2H3,(H,23,25)
InChIKeyPNAHOLGRORLADN-UHFFFAOYSA-N
XLogP3.24
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate (CID 7597893) is methyl 4-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cccn(Cc3ccccc3C)c2=O)cc1.
What is the InChIKey of methyl 4-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The InChIKey is PNAHOLGRORLADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-15-6-3-4-7-17(15)14-24-13-5-8-19(21(24)26)20(25)23-18-11-9-16(10-12-18)22(27)28-2/h3-13H,14H2,1-2H3,(H,23,25).
What are the key properties of methyl 4-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
methyl 4-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate has a molecular weight of 376.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 7597893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).