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

C16H15N3O3 — CID 71458101

IUPAC(6S)-9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESC[C@H]1CC=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)/t10-/m0/s1
InChIKeyQGVBBYJIRIGIIT-JTQLQIEISA-N
MW297.31 g/mol
LogP2.36
Rot. Bonds3

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

(6S)-9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 71458101) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (6S)-9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name(6S)-9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID71458101
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(6S)-9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESC[C@H]1CC=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)/t10-/m0/s1
InChIKeyQGVBBYJIRIGIIT-JTQLQIEISA-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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Frequently Asked Questions

What is the IUPAC name of (6S)-9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of (6S)-9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 71458101) is (6S)-9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for (6S)-9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for (6S)-9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid is C[C@H]1CC=C(Nc2ccccc2)c2ncc(C(=O)O)c(=O)n21.
What is the InChIKey of (6S)-9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is QGVBBYJIRIGIIT-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of (6S)-9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
(6S)-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 (6S)-9-anilino-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 71458101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).