methyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

C15H15BrN2O4 — CID 17324601

IUPACmethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)CC1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O4/c1-8-13(15(21)22-2)11(7-12(19)17-8)14(20)18-10-5-3-9(16)4-6-10/h3-6,11H,7H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyYQVCXTKKZUFZCH-UHFFFAOYSA-N
MW367.20 g/mol
LogP1.97
Rot. Bonds3

About methyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

methyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 17324601) has the molecular formula C15H15BrN2O4 and a molecular weight of 367.20 g/mol. Its IUPAC name is methyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID17324601
Molecular FormulaC15H15BrN2O4
Molecular Weight367.20 g/mol
Exact Mass366.02
IUPAC Namemethyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)CC1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O4/c1-8-13(15(21)22-2)11(7-12(19)17-8)14(20)18-10-5-3-9(16)4-6-10/h3-6,11H,7H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyYQVCXTKKZUFZCH-UHFFFAOYSA-N
XLogP1.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of methyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 17324601) is methyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for methyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is COC(=O)C1=C(C)NC(=O)CC1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of methyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is YQVCXTKKZUFZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4/c1-8-13(15(21)22-2)11(7-12(19)17-8)14(20)18-10-5-3-9(16)4-6-10/h3-6,11H,7H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of methyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
methyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 367.20 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-bromophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 17324601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).