N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H12BrN3O2 — CID 20878677

IUPACN-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnc3ccccn3c2=O)ccc1Br
InChIInChI=1S/C16H12BrN3O2/c1-10-8-11(5-6-13(10)17)19-15(21)12-9-18-14-4-2-3-7-20(14)16(12)22/h2-9H,1H3,(H,19,21)
InChIKeyLWUHNZIONXNOSN-UHFFFAOYSA-N
MW358.20 g/mol
LogP3.02
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 20878677) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID20878677
Molecular FormulaC16H12BrN3O2
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC NameN-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnc3ccccn3c2=O)ccc1Br
InChIInChI=1S/C16H12BrN3O2/c1-10-8-11(5-6-13(10)17)19-15(21)12-9-18-14-4-2-3-7-20(14)16(12)22/h2-9H,1H3,(H,19,21)
InChIKeyLWUHNZIONXNOSN-UHFFFAOYSA-N
XLogP3.02
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51329791
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 134044102
N-(2,6-dimethylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575304
N-(3-carbamoylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24675352
N-(1-ethylindol-5-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51098182
N-(4-amino-3,5-dichlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16621733
N-(2-fluoro-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51335432
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
propyl 4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]benzoate
CID 51329815
N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3237844
N-(2-methoxy-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878675
N-(2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572245

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 20878677) is N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cc(NC(=O)c2cnc3ccccn3c2=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LWUHNZIONXNOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c1-10-8-11(5-6-13(10)17)19-15(21)12-9-18-14-4-2-3-7-20(14)16(12)22/h2-9H,1H3,(H,19,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 358.20 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 20878677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).