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

C15H10FN3O3 — CID 763008

IUPAC4-fluoro-N-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESO=C(Nc1cnc2c(O)cccn2c1=O)c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O3/c16-10-5-3-9(4-6-10)14(21)18-11-8-17-13-12(20)2-1-7-19(13)15(11)22/h1-8,20H,(H,18,21)
InChIKeyRBPKATBKMJFDQT-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.79
Rot. Bonds2

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

4-fluoro-N-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (PubChem CID 763008) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is 4-fluoro-N-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
PubChem CID763008
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name4-fluoro-N-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESO=C(Nc1cnc2c(O)cccn2c1=O)c1ccc(F)cc1
InChIInChI=1S/C15H10FN3O3/c16-10-5-3-9(4-6-10)14(21)18-11-8-17-13-12(20)2-1-7-19(13)15(11)22/h1-8,20H,(H,18,21)
InChIKeyRBPKATBKMJFDQT-UHFFFAOYSA-N
XLogP1.79
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[[2-(dimethylamino)acetyl]-ethyl-amino]-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730626
N-(4-fluorobenzyl)-3-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730629
N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(methylamino)-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730630
9-(ethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730631
9-(dimethylamino)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730632
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
N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidin-9-yl]-N,N,N'-trimethyl-oxamide
CID 54730642
N'-ethyl-N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-oxamide
CID 54730643
N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidin-9-yl]-N,N-dimethyl-N'-propyl-oxamide
CID 54730644
N,N,N'-triethyl-N'-[2-[(4-fluorophenyl)methylcarbamoyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidin-9-yl]oxamide
CID 54730646

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (CID 763008) is 4-fluoro-N-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is O=C(Nc1cnc2c(O)cccn2c1=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The InChIKey is RBPKATBKMJFDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-10-5-3-9(4-6-10)14(21)18-11-8-17-13-12(20)2-1-7-19(13)15(11)22/h1-8,20H,(H,18,21).
What are the key properties of 4-fluoro-N-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
4-fluoro-N-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide has a molecular weight of 299.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 763008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).