4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid

C17H15N3O4 — CID 108800870

IUPAC4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid
SMILESCC1(C(=O)Nc2ccc(C(=O)O)cc2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C17H15N3O4/c1-17(10-14(21)19-13-4-2-3-9-20(13)17)16(24)18-12-7-5-11(6-8-12)15(22)23/h2-9H,10H2,1H3,(H,18,24)(H,22,23)
InChIKeyWEPSKEIKHAAIDW-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.80
Rot. Bonds3

About 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid

4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid (PubChem CID 108800870) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid
PubChem CID108800870
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid
SMILESCC1(C(=O)Nc2ccc(C(=O)O)cc2)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C17H15N3O4/c1-17(10-14(21)19-13-4-2-3-9-20(13)17)16(24)18-12-7-5-11(6-8-12)15(22)23/h2-9H,10H2,1H3,(H,18,24)(H,22,23)
InChIKeyWEPSKEIKHAAIDW-UHFFFAOYSA-N
XLogP1.80
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid (CID 108800870) is 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid is CC1(C(=O)Nc2ccc(C(=O)O)cc2)CC(=O)N=C2C=CC=CN21.
What is the InChIKey of 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid?
The InChIKey is WEPSKEIKHAAIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-17(10-14(21)19-13-4-2-3-9-20(13)17)16(24)18-12-7-5-11(6-8-12)15(22)23/h2-9H,10H2,1H3,(H,18,24)(H,22,23).
What are the key properties of 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid?
4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid has a molecular weight of 325.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 108800870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).