N-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide

C20H28N4O2 — CID 30364578

IUPACN-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCCCCN(CC)C(=O)C1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C20H28N4O2/c1-3-5-12-23(4-2)20(25)16-10-13-24(14-11-16)19-9-8-17(21-22-19)18-7-6-15-26-18/h6-9,15-16H,3-5,10-14H2,1-2H3
InChIKeyIBKVOSMPOSNXAB-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.60
Rot. Bonds7

About N-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide

N-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30364578) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30364578
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESCCCCN(CC)C(=O)C1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C20H28N4O2/c1-3-5-12-23(4-2)20(25)16-10-13-24(14-11-16)19-9-8-17(21-22-19)18-7-6-15-26-18/h6-9,15-16H,3-5,10-14H2,1-2H3
InChIKeyIBKVOSMPOSNXAB-UHFFFAOYSA-N
XLogP3.60
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(furan-2-yl)pyridazin-3-yl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 30364279
N-butyl-N-ethyl-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 78846036
cyclopropyl-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 40804993
1-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 40804995
N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364520
N-butyl-N-ethyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 55478543
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 30364330
N-butyl-N-[2-[4-[6-(2-chlorophenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46001938
N-(4-carbamoylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364254
N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364463
1-[6-(3-fluorophenyl)pyridazin-3-yl]-N,N-dipropylpiperidine-4-carboxamide
CID 53025319
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 30364305

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30364578) is N-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide is CCCCN(CC)C(=O)C1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of N-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is IBKVOSMPOSNXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-5-12-23(4-2)20(25)16-10-13-24(14-11-16)19-9-8-17(21-22-19)18-7-6-15-26-18/h6-9,15-16H,3-5,10-14H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
N-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30364578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).