ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate

C16H16N2O4 — CID 110693143

IUPACethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C16H16N2O4/c1-3-22-16(21)12-6-4-5-7-13(12)17-15(20)11-8-9-14(19)18(2)10-11/h4-10H,3H2,1-2H3,(H,17,20)
InChIKeyUKGHQTUOBRNZJO-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.81
Rot. Bonds4

About ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate

ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate (PubChem CID 110693143) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate
PubChem CID110693143
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Nameethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C16H16N2O4/c1-3-22-16(21)12-6-4-5-7-13(12)17-15(20)11-8-9-14(19)18(2)10-11/h4-10H,3H2,1-2H3,(H,17,20)
InChIKeyUKGHQTUOBRNZJO-UHFFFAOYSA-N
XLogP1.81
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate (CID 110693143) is ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate?
The InChIKey is UKGHQTUOBRNZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-3-22-16(21)12-6-4-5-7-13(12)17-15(20)11-8-9-14(19)18(2)10-11/h4-10H,3H2,1-2H3,(H,17,20).
What are the key properties of ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate?
ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate has a molecular weight of 300.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 110693143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).