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

C16H12FN3O3 — CID 135458490

IUPACN-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C16H12FN3O3/c17-11-6-4-10(5-7-11)9-18-14(21)13-15(22)19-12-3-1-2-8-20(12)16(13)23/h1-8,22H,9H2,(H,18,21)
InChIKeyZKULUJUAGTWGLI-UHFFFAOYSA-N
MW313.29 g/mol
LogP1.47
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135458490) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135458490
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC NameN-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C16H12FN3O3/c17-11-6-4-10(5-7-11)9-18-14(21)13-15(22)19-12-3-1-2-8-20(12)16(13)23/h1-8,22H,9H2,(H,18,21)
InChIKeyZKULUJUAGTWGLI-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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135458490) is N-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ZKULUJUAGTWGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c17-11-6-4-10(5-7-11)9-18-14(21)13-15(22)19-12-3-1-2-8-20(12)16(13)23/h1-8,22H,9H2,(H,18,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(4-fluorophenyl)methyl]-2-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]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135458490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).