9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid

C16H15N3O3 — CID 13131705

IUPAC9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCC1CC=C(Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21
InChIInChI=1S/C16H15N3O3/c1-10-7-8-13(18-11-5-3-2-4-6-11)14-17-9-12(16(21)22)15(20)19(10)14/h2-6,8-10,18H,7H2,1H3,(H,21,22)
InChIKeyQGVBBYJIRIGIIT-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.36
Rot. Bonds3

About 9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid

9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 13131705) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID13131705
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCC1CC=C(Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21
InChIInChI=1S/C16H15N3O3/c1-10-7-8-13(18-11-5-3-2-4-6-11)14-17-9-12(16(21)22)15(20)19(10)14/h2-6,8-10,18H,7H2,1H3,(H,21,22)
InChIKeyQGVBBYJIRIGIIT-UHFFFAOYSA-N
XLogP2.36
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-phenyl-
CID 3079287
4-oxo-N-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572065
6-Methyl-9-(2-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 13292078
9-(3-Iodoanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 13292081
9-(3-Bromoanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 13292091
9-(3-Fluoroanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 13292093
9-(3-Acetylanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 13292094
6-Methyl-9-(naphthalen-2-ylamino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 13369389
6-methyl-9-(N-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 13369408
9-anilino-6-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 13369414
6-methyl-9-[methyl(phenyl)hydrazinylidene]-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 44269300
6-Methyl-4-oxo-9-(phenylcarbamoyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 44284116

Frequently Asked Questions

What is the IUPAC name of 9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 13131705) is 9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid is CC1CC=C(Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21.
What is the InChIKey of 9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is QGVBBYJIRIGIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-7-8-13(18-11-5-3-2-4-6-11)14-17-9-12(16(21)22)15(20)19(10)14/h2-6,8-10,18H,7H2,1H3,(H,21,22).
What are the key properties of 9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 13131705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).