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

C17H17N3O3 — CID 13369388

IUPAC6-methyl-9-(3-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1cccc(NC2=CCC(C)n3c2ncc(C(=O)O)c3=O)c1
InChIInChI=1S/C17H17N3O3/c1-10-4-3-5-12(8-10)19-14-7-6-11(2)20-15(14)18-9-13(16(20)21)17(22)23/h3-5,7-9,11,19H,6H2,1-2H3,(H,22,23)
InChIKeyLDXOTIIVQFLMCU-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.67
Rot. Bonds3

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

6-methyl-9-(3-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 13369388) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 6-methyl-9-(3-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-9-(3-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID13369388
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name6-methyl-9-(3-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCc1cccc(NC2=CCC(C)n3c2ncc(C(=O)O)c3=O)c1
InChIInChI=1S/C17H17N3O3/c1-10-4-3-5-12(8-10)19-14-7-6-11(2)20-15(14)18-9-13(16(20)21)17(22)23/h3-5,7-9,11,19H,6H2,1-2H3,(H,22,23)
InChIKeyLDXOTIIVQFLMCU-UHFFFAOYSA-N
XLogP2.67
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(2-methylphenyl)-4-oxo-
CID 3075179
N-(3-methylphenyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 4572066
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(4-methylphenyl)-4-oxo-
CID 3075178
9-Methyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-4H-pyrido[1,2-A]pyrimidin-4-one
CID 16033036
7-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010500
N-[4-(diethylamino)-2-methylphenyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 3240310
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-(3-Acetylanilino)-6-methyl-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 13292094

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-(3-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-methyl-9-(3-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 13369388) is 6-methyl-9-(3-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-9-(3-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-9-(3-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid is Cc1cccc(NC2=CCC(C)n3c2ncc(C(=O)O)c3=O)c1.
What is the InChIKey of 6-methyl-9-(3-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is LDXOTIIVQFLMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-4-3-5-12(8-10)19-14-7-6-11(2)20-15(14)18-9-13(16(20)21)17(22)23/h3-5,7-9,11,19H,6H2,1-2H3,(H,22,23).
What are the key properties of 6-methyl-9-(3-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
6-methyl-9-(3-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-(3-methylanilino)-4-oxo-6,7-dihydropyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 13369388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).