N-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H12FN3O3 — CID 59242556

IUPACN-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnc2c(O)cccn2c1=O
InChIInChI=1S/C16H12FN3O3/c17-11-5-3-10(4-6-11)8-19-15(22)12-9-18-14-13(21)2-1-7-20(14)16(12)23/h1-7,9,21H,8H2,(H,19,22)
InChIKeyLFIHHHRCFVSBKO-UHFFFAOYSA-N
MW313.29 g/mol
LogP1.47
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 59242556) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID59242556
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC NameN-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnc2c(O)cccn2c1=O
InChIInChI=1S/C16H12FN3O3/c17-11-5-3-10(4-6-11)8-19-15(22)12-9-18-14-13(21)2-1-7-20(14)16(12)23/h1-7,9,21H,8H2,(H,19,22)
InChIKeyLFIHHHRCFVSBKO-UHFFFAOYSA-N
XLogP1.47
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 59242556) is N-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1cnc2c(O)cccn2c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LFIHHHRCFVSBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c17-11-5-3-10(4-6-11)8-19-15(22)12-9-18-14-13(21)2-1-7-20(14)16(12)23/h1-7,9,21H,8H2,(H,19,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 313.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 59242556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).