N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H11BrFN3O2 — CID 46472876

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cc(Br)ccc1F)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H11BrFN3O2/c17-11-4-5-13(18)10(7-11)8-20-15(22)12-9-19-14-3-1-2-6-21(14)16(12)23/h1-7,9H,8H2,(H,20,22)
InChIKeyIGTWTSYFYPKIEZ-UHFFFAOYSA-N
MW376.19 g/mol
LogP2.53
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 46472876) has the molecular formula C16H11BrFN3O2 and a molecular weight of 376.19 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID46472876
Molecular FormulaC16H11BrFN3O2
Molecular Weight376.19 g/mol
Exact Mass375.00
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1cc(Br)ccc1F)c1cnc2ccccn2c1=O
InChIInChI=1S/C16H11BrFN3O2/c17-11-4-5-13(18)10(7-11)8-20-15(22)12-9-19-14-3-1-2-6-21(14)16(12)23/h1-7,9H,8H2,(H,20,22)
InChIKeyIGTWTSYFYPKIEZ-UHFFFAOYSA-N
XLogP2.53
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
4-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16622345
N-(4-chloro-2-fluorophenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 24672239
N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide
CID 46592497
N-(2-fluoro-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51335432
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131943923
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110885527
N-[(3-methylthiophen-2-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 134059639
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614902
(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 107833801
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94173617

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 46472876) is N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCc1cc(Br)ccc1F)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is IGTWTSYFYPKIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3O2/c17-11-4-5-13(18)10(7-11)8-20-15(22)12-9-19-14-3-1-2-6-21(14)16(12)23/h1-7,9H,8H2,(H,20,22).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 376.19 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46472876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).