4-fluoro-N-(7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide

C16H12FN3O2 — CID 802655

IUPAC4-fluoro-N-(7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESCc1ccc2ncc(NC(=O)c3ccc(F)cc3)c(=O)n2c1
InChIInChI=1S/C16H12FN3O2/c1-10-2-7-14-18-8-13(16(22)20(14)9-10)19-15(21)11-3-5-12(17)6-4-11/h2-9H,1H3,(H,19,21)
InChIKeyGFUAJMSQIPTNBT-UHFFFAOYSA-N
MW297.29 g/mol
LogP2.39
Rot. Bonds2

About 4-fluoro-N-(7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide

4-fluoro-N-(7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (PubChem CID 802655) has the molecular formula C16H12FN3O2 and a molecular weight of 297.29 g/mol. Its IUPAC name is 4-fluoro-N-(7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
PubChem CID802655
Molecular FormulaC16H12FN3O2
Molecular Weight297.29 g/mol
Exact Mass297.09
IUPAC Name4-fluoro-N-(7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
SMILESCc1ccc2ncc(NC(=O)c3ccc(F)cc3)c(=O)n2c1
InChIInChI=1S/C16H12FN3O2/c1-10-2-7-14-18-8-13(16(22)20(14)9-10)19-15(21)11-3-5-12(17)6-4-11/h2-9H,1H3,(H,19,21)
InChIKeyGFUAJMSQIPTNBT-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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide (CID 802655) is 4-fluoro-N-(7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is Cc1ccc2ncc(NC(=O)c3ccc(F)cc3)c(=O)n2c1.
What is the InChIKey of 4-fluoro-N-(7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
The InChIKey is GFUAJMSQIPTNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2/c1-10-2-7-14-18-8-13(16(22)20(14)9-10)19-15(21)11-3-5-12(17)6-4-11/h2-9H,1H3,(H,19,21).
What are the key properties of 4-fluoro-N-(7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide?
4-fluoro-N-(7-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-(7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide is sourced from PubChem (CID 802655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).