6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid

C13H18N4O3 — CID 118420691

IUPAC6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnnc(CNCC(=O)N2CCCCC2)c1
InChIInChI=1S/C13H18N4O3/c18-12(17-4-2-1-3-5-17)9-14-8-11-6-10(13(19)20)7-15-16-11/h6-7,14H,1-5,8-9H2,(H,19,20)
InChIKeyROLOXANLBFDXOZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.28
Rot. Bonds5

About 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid

6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid (PubChem CID 118420691) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid
PubChem CID118420691
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid
SMILESO=C(O)c1cnnc(CNCC(=O)N2CCCCC2)c1
InChIInChI=1S/C13H18N4O3/c18-12(17-4-2-1-3-5-17)9-14-8-11-6-10(13(19)20)7-15-16-11/h6-7,14H,1-5,8-9H2,(H,19,20)
InChIKeyROLOXANLBFDXOZ-UHFFFAOYSA-N
XLogP0.28
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid?
The IUPAC name of 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid (CID 118420691) is 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid.
What is the SMILES notation for 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid?
The canonical SMILES for 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid is O=C(O)c1cnnc(CNCC(=O)N2CCCCC2)c1.
What is the InChIKey of 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid?
The InChIKey is ROLOXANLBFDXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-12(17-4-2-1-3-5-17)9-14-8-11-6-10(13(19)20)7-15-16-11/h6-7,14H,1-5,8-9H2,(H,19,20).
What are the key properties of 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid?
6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]pyridazine-4-carboxylic acid is sourced from PubChem (CID 118420691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).