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

C17H17N3O3 — CID 13369408

IUPAC6-methyl-9-(N-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCC1CC=C(N(C)c2ccccc2)c2ncc(C(=O)O)c(=O)n21
InChIInChI=1S/C17H17N3O3/c1-11-8-9-14(19(2)12-6-4-3-5-7-12)15-18-10-13(17(22)23)16(21)20(11)15/h3-7,9-11H,8H2,1-2H3,(H,22,23)
InChIKeyMHSUIEBXDIWSGY-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.38
Rot. Bonds3

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

6-methyl-9-(N-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 13369408) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 6-methyl-9-(N-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-9-(N-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID13369408
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name6-methyl-9-(N-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCC1CC=C(N(C)c2ccccc2)c2ncc(C(=O)O)c(=O)n21
InChIInChI=1S/C17H17N3O3/c1-11-8-9-14(19(2)12-6-4-3-5-7-12)15-18-10-13(17(22)23)16(21)20(11)15/h3-7,9-11H,8H2,1-2H3,(H,22,23)
InChIKeyMHSUIEBXDIWSGY-UHFFFAOYSA-N
XLogP2.38
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Oxo-1-[(4-phenylpiperazin-1-yl)methyl]quinolizine-3-carboxylic acid
CID 70696545
N-ethyl-7-methyl-4-oxo-N-phenyl-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010519
9-Methyl-3-(4-phenylpiperazine-1-carbonyl)-4H-pyrido[1,2-A]pyrimidin-4-one
CID 16033034
9-anilino-6-methyl-4-oxo-6,7-dihydro-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 13131705
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-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
(9E)-6-methyl-9-[(3-methylanilino)methylidene]-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 13884697

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-(N-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-methyl-9-(N-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 13369408) is 6-methyl-9-(N-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-9-(N-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-9-(N-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid is CC1CC=C(N(C)c2ccccc2)c2ncc(C(=O)O)c(=O)n21.
What is the InChIKey of 6-methyl-9-(N-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is MHSUIEBXDIWSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-8-9-14(19(2)12-6-4-3-5-7-12)15-18-10-13(17(22)23)16(21)20(11)15/h3-7,9-11H,8H2,1-2H3,(H,22,23).
What are the key properties of 6-methyl-9-(N-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
6-methyl-9-(N-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-(N-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 13369408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).