N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide

C17H26N4O2 — CID 53012194

IUPACN-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide
SMILESCn1ncc(NC(=O)C2CCCCC2)c(N2CCCCC2)c1=O
InChIInChI=1S/C17H26N4O2/c1-20-17(23)15(21-10-6-3-7-11-21)14(12-18-20)19-16(22)13-8-4-2-5-9-13/h12-13H,2-11H2,1H3,(H,19,22)
InChIKeyYHUONARITRCZJY-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.29
Rot. Bonds3

About N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide

N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide (PubChem CID 53012194) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide
PubChem CID53012194
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide
SMILESCn1ncc(NC(=O)C2CCCCC2)c(N2CCCCC2)c1=O
InChIInChI=1S/C17H26N4O2/c1-20-17(23)15(21-10-6-3-7-11-21)14(12-18-20)19-16(22)13-8-4-2-5-9-13/h12-13H,2-11H2,1H3,(H,19,22)
InChIKeyYHUONARITRCZJY-UHFFFAOYSA-N
XLogP2.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide 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-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide (CID 53012194) is N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide is Cn1ncc(NC(=O)C2CCCCC2)c(N2CCCCC2)c1=O.
What is the InChIKey of N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide?
The InChIKey is YHUONARITRCZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-20-17(23)15(21-10-6-3-7-11-21)14(12-18-20)19-16(22)13-8-4-2-5-9-13/h12-13H,2-11H2,1H3,(H,19,22).
What are the key properties of N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide?
N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)cyclohexanecarboxamide is sourced from PubChem (CID 53012194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).