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

C17H13N3O5 — CID 44783251

IUPAC3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2cnc3ccc(C(=O)O)cn3c2=O)cc1
InChIInChI=1S/C17H13N3O5/c1-25-12-5-2-10(3-6-12)15(21)19-13-8-18-14-7-4-11(17(23)24)9-20(14)16(13)22/h2-9H,1H3,(H,19,21)(H,23,24)
InChIKeyLREDLAWMJROYPI-UHFFFAOYSA-N
MW339.31 g/mol
LogP1.65
Rot. Bonds4

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

3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 44783251) has the molecular formula C17H13N3O5 and a molecular weight of 339.31 g/mol. Its IUPAC name is 3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID44783251
Molecular FormulaC17H13N3O5
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESCOc1ccc(C(=O)Nc2cnc3ccc(C(=O)O)cn3c2=O)cc1
InChIInChI=1S/C17H13N3O5/c1-25-12-5-2-10(3-6-12)15(21)19-13-8-18-14-7-4-11(17(23)24)9-20(14)16(13)22/h2-9H,1H3,(H,19,21)(H,23,24)
InChIKeyLREDLAWMJROYPI-UHFFFAOYSA-N
XLogP1.65
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 18891531
4-tert-butyl-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 6457996
sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 173433782
N-[1-ethyl-2-(4-methoxyphenyl)-6-oxopyrimidin-5-yl]benzamide
CID 142150656
2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10293083
4-fluoro-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 763006
ethyl 5-benzamido-1-[(4-methoxyphenyl)methyl]-6-oxopyrimidine-2-carboxylate
CID 102333626
3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 63117294
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
methyl 3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 44783245
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-methoxybenzamide
CID 91969303
3-ethylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 62651900

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid (CID 44783251) is 3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid is COc1ccc(C(=O)Nc2cnc3ccc(C(=O)O)cn3c2=O)cc1.
What is the InChIKey of 3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is LREDLAWMJROYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O5/c1-25-12-5-2-10(3-6-12)15(21)19-13-8-18-14-7-4-11(17(23)24)9-20(14)16(13)22/h2-9H,1H3,(H,19,21)(H,23,24).
What are the key properties of 3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 339.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxybenzoyl)amino]-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 44783251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).