N-(2-methylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

C17H28N4O2 — CID 53202197

IUPACN-(2-methylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCC(C)C)CC2)cc1=O
InChIInChI=1S/C17H28N4O2/c1-4-7-21-16(22)10-15(12-19-21)20-8-5-14(6-9-20)17(23)18-11-13(2)3/h10,12-14H,4-9,11H2,1-3H3,(H,18,23)
InChIKeyXJHCEMWPUVHAOD-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.64
Rot. Bonds6

About N-(2-methylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

N-(2-methylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202197) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202197
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-(2-methylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCC(C)C)CC2)cc1=O
InChIInChI=1S/C17H28N4O2/c1-4-7-21-16(22)10-15(12-19-21)20-8-5-14(6-9-20)17(23)18-11-13(2)3/h10,12-14H,4-9,11H2,1-3H3,(H,18,23)
InChIKeyXJHCEMWPUVHAOD-UHFFFAOYSA-N
XLogP1.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (CID 53202197) is N-(2-methylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)NCC(C)C)CC2)cc1=O.
What is the InChIKey of N-(2-methylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is XJHCEMWPUVHAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-7-21-16(22)10-15(12-19-21)20-8-5-14(6-9-20)17(23)18-11-13(2)3/h10,12-14H,4-9,11H2,1-3H3,(H,18,23).
What are the key properties of N-(2-methylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
N-(2-methylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).