9-anilino-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid

C16H17N3O3 — CID 13369414

IUPAC9-anilino-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCC1CCC(Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21
InChIInChI=1S/C16H17N3O3/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/h2-6,9-10,13,18H,7-8H2,1H3,(H,21,22)
InChIKeyZGWUZIIWJMCZMO-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.45
Rot. Bonds3

About 9-anilino-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid

9-anilino-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 13369414) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 9-anilino-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name9-anilino-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID13369414
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name9-anilino-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCC1CCC(Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21
InChIInChI=1S/C16H17N3O3/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/h2-6,9-10,13,18H,7-8H2,1H3,(H,21,22)
InChIKeyZGWUZIIWJMCZMO-UHFFFAOYSA-N
XLogP2.45
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-anilino-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 9-anilino-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 13369414) is 9-anilino-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 9-anilino-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 9-anilino-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid is CC1CCC(Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21.
What is the InChIKey of 9-anilino-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is ZGWUZIIWJMCZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/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/h2-6,9-10,13,18H,7-8H2,1H3,(H,21,22).
What are the key properties of 9-anilino-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
9-anilino-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.45, 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-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 13369414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).