N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

C15H24N4O2 — CID 53203753

IUPACN-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C15H24N4O2/c1-11(2)5-6-16-15(21)12-4-3-7-19(10-12)13-8-14(20)18-17-9-13/h8-9,11-12H,3-7,10H2,1-2H3,(H,16,21)(H,18,20)
InChIKeyUSLJOUNRTDIPBY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.15
Rot. Bonds5

About N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide

N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (PubChem CID 53203753) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
PubChem CID53203753
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C15H24N4O2/c1-11(2)5-6-16-15(21)12-4-3-7-19(10-12)13-8-14(20)18-17-9-13/h8-9,11-12H,3-7,10H2,1-2H3,(H,16,21)(H,18,20)
InChIKeyUSLJOUNRTDIPBY-UHFFFAOYSA-N
XLogP1.15
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide (CID 53203753) is N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is CC(C)CCNC(=O)C1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
The InChIKey is USLJOUNRTDIPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)5-6-16-15(21)12-4-3-7-19(10-12)13-8-14(20)18-17-9-13/h8-9,11-12H,3-7,10H2,1-2H3,(H,16,21)(H,18,20).
What are the key properties of N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide?
N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53203753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).