3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid

C13H17N3O4 — CID 107069832

IUPAC3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)c2ccc(=O)n(C)n2)C1C(=O)O
InChIInChI=1S/C13H17N3O4/c1-8-4-3-7-16(11(8)13(19)20)12(18)9-5-6-10(17)15(2)14-9/h5-6,8,11H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyQGMTXHISKVGBFT-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.11
Rot. Bonds2

About 3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid

3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 107069832) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID107069832
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)c2ccc(=O)n(C)n2)C1C(=O)O
InChIInChI=1S/C13H17N3O4/c1-8-4-3-7-16(11(8)13(19)20)12(18)9-5-6-10(17)15(2)14-9/h5-6,8,11H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyQGMTXHISKVGBFT-UHFFFAOYSA-N
XLogP0.11
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid (CID 107069832) is 3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid is CC1CCCN(C(=O)c2ccc(=O)n(C)n2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is QGMTXHISKVGBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8-4-3-7-16(11(8)13(19)20)12(18)9-5-6-10(17)15(2)14-9/h5-6,8,11H,3-4,7H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid?
3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107069832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).