1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid

C14H19N3O4 — CID 106741888

IUPAC1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCc1n[nH]c(=O)c(C(=O)N2CCC(C(=O)O)CC2C)c1C
InChIInChI=1S/C14H19N3O4/c1-7-6-10(14(20)21)4-5-17(7)13(19)11-8(2)9(3)15-16-12(11)18/h7,10H,4-6H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyFURIXPDJHKYKSX-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.71
Rot. Bonds2

About 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid

1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106741888) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106741888
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid
SMILESCc1n[nH]c(=O)c(C(=O)N2CCC(C(=O)O)CC2C)c1C
InChIInChI=1S/C14H19N3O4/c1-7-6-10(14(20)21)4-5-17(7)13(19)11-8(2)9(3)15-16-12(11)18/h7,10H,4-6H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyFURIXPDJHKYKSX-UHFFFAOYSA-N
XLogP0.71
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741965
methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate
CID 43431338
methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate
CID 115535693
2-methyl-1-(2H-tetrazole-5-carbonyl)piperidine-4-carboxylic acid
CID 106742046
methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate
CID 43623810
5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one
CID 114679803
5-[(3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 99818989
2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106742262
3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 154857691
1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744401
2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 106742085
5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 115775106

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid (CID 106741888) is 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid is Cc1n[nH]c(=O)c(C(=O)N2CCC(C(=O)O)CC2C)c1C.
What is the InChIKey of 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is FURIXPDJHKYKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-7-6-10(14(20)21)4-5-17(7)13(19)11-8(2)9(3)15-16-12(11)18/h7,10H,4-6H2,1-3H3,(H,16,18)(H,20,21).
What are the key properties of 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid?
1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106741888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).