ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate

C16H15ClN2O4 — CID 46320509

IUPACethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)c(=O)[nH]c1C
InChIInChI=1S/C16H15ClN2O4/c1-3-23-16(22)12-8-13(14(20)18-9(12)2)15(21)19-11-6-4-10(17)5-7-11/h4-8H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOWWLGEBFECUQAR-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.77
Rot. Bonds4

About ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate

ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 46320509) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID46320509
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Nameethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)c(=O)[nH]c1C
InChIInChI=1S/C16H15ClN2O4/c1-3-23-16(22)12-8-13(14(20)18-9(12)2)15(21)19-11-6-4-10(17)5-7-11/h4-8H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOWWLGEBFECUQAR-UHFFFAOYSA-N
XLogP2.77
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-methyl-6-oxo-1H-pyridine-3,5-dicarboxylate
CID 754450
ethyl 4-[(7-fluoro-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
CID 110426635
ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39850158
propyl 2-[(4-chlorophenyl)carbamoyl]benzoate
CID 71387076
ethyl 5-methoxy-2-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 69225135
ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
ethyl 4-acetamido-2-(4-chlorophenyl)benzoate
CID 139893211
ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
ethyl 4-[(2-methyl-1H-pyrrole-3-carbonyl)amino]benzoate
CID 110695822
ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate
CID 168862194
[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl] diethyl phosphate
CID 73334324
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 46320509) is ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate is CCOC(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)c(=O)[nH]c1C.
What is the InChIKey of ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is OWWLGEBFECUQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-3-23-16(22)12-8-13(14(20)18-9(12)2)15(21)19-11-6-4-10(17)5-7-11/h4-8H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 334.76 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-chlorophenyl)carbamoyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 46320509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).