N-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide

C22H13BrF2N4O4 — CID 25116075

IUPACN-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccon1)c1ccc(Br)c(NC(=O)c2ccc(=O)n(-c3c(F)cccc3F)c2)c1
InChIInChI=1S/C22H13BrF2N4O4/c23-14-6-4-12(21(31)27-18-8-9-33-28-18)10-17(14)26-22(32)13-5-7-19(30)29(11-13)20-15(24)2-1-3-16(20)25/h1-11H,(H,26,32)(H,27,28,31)
InChIKeyDBQXWEPZQSBYKP-UHFFFAOYSA-N
MW515.27 g/mol
LogP4.37
Rot. Bonds5

About N-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide

N-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide (PubChem CID 25116075) has the molecular formula C22H13BrF2N4O4 and a molecular weight of 515.27 g/mol. Its IUPAC name is N-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide
PubChem CID25116075
Molecular FormulaC22H13BrF2N4O4
Molecular Weight515.27 g/mol
Exact Mass514.01
IUPAC NameN-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide
SMILESO=C(Nc1ccon1)c1ccc(Br)c(NC(=O)c2ccc(=O)n(-c3c(F)cccc3F)c2)c1
InChIInChI=1S/C22H13BrF2N4O4/c23-14-6-4-12(21(31)27-18-8-9-33-28-18)10-17(14)26-22(32)13-5-7-19(30)29(11-13)20-15(24)2-1-3-16(20)25/h1-11H,(H,26,32)(H,27,28,31)
InChIKeyDBQXWEPZQSBYKP-UHFFFAOYSA-N
XLogP4.37
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.27
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-[[1-(2-chloro-6-fluorophenyl)-6-oxopyridine-3-carbonyl]amino]benzoic acid
CID 67056853
4-fluoro-N-(1,2-oxazol-3-yl)-3-(trifluoromethyl)benzamide
CID 55131451
3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 17217691
4-amino-3-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 62903600
N-(1,2-oxazol-3-yl)-1H-indole-6-carboxamide
CID 63768269
N-(2-bromo-5-fluorophenyl)-3-chloro-4-fluorobenzamide
CID 113264517
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(1,2-oxazol-3-yl)benzamide
CID 62904657
3,5-dichloro-N-(1,2-oxazol-3-yl)benzamide
CID 17249127
3-bromo-N-(2,3-difluorophenyl)-4-fluorobenzamide
CID 103707138
1-[(4-nitrophenyl)methyl]-N-(1,2-oxazol-3-yl)-6-oxopyridine-3-carboxamide
CID 8698035
4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid
CID 107812538
4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide (CID 25116075) is N-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide is O=C(Nc1ccon1)c1ccc(Br)c(NC(=O)c2ccc(=O)n(-c3c(F)cccc3F)c2)c1.
What is the InChIKey of N-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide?
The InChIKey is DBQXWEPZQSBYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13BrF2N4O4/c23-14-6-4-12(21(31)27-18-8-9-33-28-18)10-17(14)26-22(32)13-5-7-19(30)29(11-13)20-15(24)2-1-3-16(20)25/h1-11H,(H,26,32)(H,27,28,31).
What are the key properties of N-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide?
N-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide has a molecular weight of 515.27 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-5-(1,2-oxazol-3-ylcarbamoyl)phenyl]-1-(2,6-difluorophenyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 25116075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).