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

C20H17FN4O4 — CID 44782939

IUPAC4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide
SMILESO=C(Nc1cnc2c(C(=O)N3CCOCC3)cccn2c1=O)c1ccc(F)cc1
InChIInChI=1S/C20H17FN4O4/c21-14-5-3-13(4-6-14)18(26)23-16-12-22-17-15(2-1-7-25(17)20(16)28)19(27)24-8-10-29-11-9-24/h1-7,12H,8-11H2,(H,23,26)
InChIKeyWJHIIXQBCTZAKW-UHFFFAOYSA-N
MW396.38 g/mol
LogP1.56
Rot. Bonds3

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

4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide (PubChem CID 44782939) has the molecular formula C20H17FN4O4 and a molecular weight of 396.38 g/mol. Its IUPAC name is 4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide
PubChem CID44782939
Molecular FormulaC20H17FN4O4
Molecular Weight396.38 g/mol
Exact Mass396.12
IUPAC Name4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide
SMILESO=C(Nc1cnc2c(C(=O)N3CCOCC3)cccn2c1=O)c1ccc(F)cc1
InChIInChI=1S/C20H17FN4O4/c21-14-5-3-13(4-6-14)18(26)23-16-12-22-17-15(2-1-7-25(17)20(16)28)19(27)24-8-10-29-11-9-24/h1-7,12H,8-11H2,(H,23,26)
InChIKeyWJHIIXQBCTZAKW-UHFFFAOYSA-N
XLogP1.56
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide (CID 44782939) is 4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide is O=C(Nc1cnc2c(C(=O)N3CCOCC3)cccn2c1=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide?
The InChIKey is WJHIIXQBCTZAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4/c21-14-5-3-13(4-6-14)18(26)23-16-12-22-17-15(2-1-7-25(17)20(16)28)19(27)24-8-10-29-11-9-24/h1-7,12H,8-11H2,(H,23,26).
What are the key properties of 4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide?
4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide has a molecular weight of 396.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 44782939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).