4-fluoro-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide

C16H12FN3O2 — CID 763032

IUPAC4-fluoro-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESCc1cccn2c(=O)c(NC(=O)c3ccc(F)cc3)cnc12
InChIInChI=1S/C16H12FN3O2/c1-10-3-2-8-20-14(10)18-9-13(16(20)22)19-15(21)11-4-6-12(17)7-5-11/h2-9H,1H3,(H,19,21)
InChIKeyIPDDRDWDZGDGCU-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.39
Rot. Bonds2

About 4-fluoro-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide

4-fluoro-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (PubChem CID 763032) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 4-fluoro-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
PubChem CID763032
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name4-fluoro-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESCc1cccn2c(=O)c(NC(=O)c3ccc(F)cc3)cnc12
InChIInChI=1S/C16H12FN3O2/c1-10-3-2-8-20-14(10)18-9-13(16(20)22)19-15(21)11-4-6-12(17)7-5-11/h2-9H,1H3,(H,19,21)
InChIKeyIPDDRDWDZGDGCU-UHFFFAOYSA-N
XLogP2.39
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(Z)-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1724396
N-[2-(2-Fluoro-phenyl)-1-(4-methyl-piperazine-1-carbonyl)-vinyl]-benzamide
CID 2213200
9-benzamido-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730633
N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730634
9-(benzamidomethyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730637
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
4-fluoro-N-(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 802655
4-methyl-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2233906
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1-naphthamide
CID 16799353
N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-1-naphthamide
CID 16799373
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-4-methyl-N-(1-methyl-6-oxo-2-phenylpyrimidin-5-yl)pentanamide
CID 44344798
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-fluorobenzamide
CID 71583419

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (CID 763032) is 4-fluoro-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is Cc1cccn2c(=O)c(NC(=O)c3ccc(F)cc3)cnc12.
What is the InChIKey of 4-fluoro-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The InChIKey is IPDDRDWDZGDGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-10-3-2-8-20-14(10)18-9-13(16(20)22)19-15(21)11-4-6-12(17)7-5-11/h2-9H,1H3,(H,19,21).
What are the key properties of 4-fluoro-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
4-fluoro-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide has a molecular weight of 297.29 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 763032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).