N-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide

C13H9BrF2N2O2 — CID 99824990

IUPACN-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2cc(Br)c(F)cc2F)cc1=O
InChIInChI=1S/C13H9BrF2N2O2/c1-18-3-2-7(4-12(18)19)13(20)17-11-5-8(14)9(15)6-10(11)16/h2-6H,1H3,(H,17,20)
InChIKeyDKNKQDRCCKFKDE-UHFFFAOYSA-N
MW343.13 g/mol
LogP2.68
Rot. Bonds2

About N-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide

N-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 99824990) has the molecular formula C13H9BrF2N2O2 and a molecular weight of 343.13 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID99824990
Molecular FormulaC13H9BrF2N2O2
Molecular Weight343.13 g/mol
Exact Mass341.98
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2cc(Br)c(F)cc2F)cc1=O
InChIInChI=1S/C13H9BrF2N2O2/c1-18-3-2-7(4-12(18)19)13(20)17-11-5-8(14)9(15)6-10(11)16/h2-6H,1H3,(H,17,20)
InChIKeyDKNKQDRCCKFKDE-UHFFFAOYSA-N
XLogP2.68
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.13
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-fluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103793620
N-(2-bromo-4-chlorophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103774923
4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102848004
3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102852339
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
N-(4-iodophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103610749
N-(5-amino-2-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 106813423
N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
CID 103842544
N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107676398
N-(2-bromo-3-nitrophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 86816899
1-methyl-2-oxo-N-(2-propylphenyl)pyridine-4-carboxamide
CID 31870618
4-[(4-bromo-2,5-difluorophenyl)carbamoyl]benzoic acid
CID 107615306

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide (CID 99824990) is N-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)Nc2cc(Br)c(F)cc2F)cc1=O.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is DKNKQDRCCKFKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O2/c1-18-3-2-7(4-12(18)19)13(20)17-11-5-8(14)9(15)6-10(11)16/h2-6H,1H3,(H,17,20).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 343.13 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 99824990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).