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

C16H10FN3O4 — CID 2351911

IUPAC3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
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)
InChIKeyGWOMBBYXRHVSQN-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.78
Rot. Bonds3

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

3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 2351911) has the molecular formula C16H10FN3O4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID2351911
Molecular FormulaC16H10FN3O4
Molecular Weight327.27 g/mol
Exact Mass327.07
IUPAC Name3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
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)
InChIKeyGWOMBBYXRHVSQN-UHFFFAOYSA-N
XLogP1.78
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-benzamido-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730633
4-fluoro-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
4-fluoro-N-(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 802655
4-methyl-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2233906
2,6-difluoro-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}benzamide
CID 16030255
3,4-difluoro-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}benzamide
CID 16030257
(7-Bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 2400757
2-methyl-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}benzamide
CID 16030247
N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-4-(trifluoromethyl)benzamide
CID 16030259
4-fluoro-N-(9-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763008
4-fluoro-N-(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763032
4-methyl-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}benzamide
CID 16030249

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid (CID 2351911) is 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid 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-carboxylic acid?
The InChIKey is GWOMBBYXRHVSQN-UHFFFAOYSA-N. 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).
What are the key properties of 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 327.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 2351911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).