3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate

C16H9FN3O4- — CID 2351910

IUPAC3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
SMILESO=C([O-])c1ccc2ncc(NC(=O)c3ccc(F)cc3)c(=O)n2c1
InChIInChI=1S/C16H10FN3O4/c17-11-4-1-9(2-5-11)14(21)19-12-7-18-13-6-3-10(16(23)24)8-20(13)15(12)22/h1-8H,(H,19,21)(H,23,24)/p-1
InChIKeyGWOMBBYXRHVSQN-UHFFFAOYSA-M
MW326.26 g/mol
LogP0.45
Rot. Bonds3

About 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate

3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate (PubChem CID 2351910) has the molecular formula C16H9FN3O4- and a molecular weight of 326.26 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
PubChem CID2351910
Molecular FormulaC16H9FN3O4-
Molecular Weight326.26 g/mol
Exact Mass326.06
IUPAC Name3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
SMILESO=C([O-])c1ccc2ncc(NC(=O)c3ccc(F)cc3)c(=O)n2c1
InChIInChI=1S/C16H10FN3O4/c17-11-4-1-9(2-5-11)14(21)19-12-7-18-13-6-3-10(16(23)24)8-20(13)15(12)22/h1-8H,(H,19,21)(H,23,24)/p-1
InChIKeyGWOMBBYXRHVSQN-UHFFFAOYSA-M
XLogP0.45
TPSA103.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate (CID 2351910) is 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate is O=C([O-])c1ccc2ncc(NC(=O)c3ccc(F)cc3)c(=O)n2c1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate?
The InChIKey is GWOMBBYXRHVSQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H10FN3O4/c17-11-4-1-9(2-5-11)14(21)19-12-7-18-13-6-3-10(16(23)24)8-20(13)15(12)22/h1-8H,(H,19,21)(H,23,24)/p-1.
What are the key properties of 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate?
3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate has a molecular weight of 326.26 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 2351910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).