N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide

C17H22N4O3 — CID 121034408

IUPACN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCCn2nc(-c3ccco3)ccc2=O)C1
InChIInChI=1S/C17H22N4O3/c1-20-9-2-4-13(12-20)17(23)18-8-10-21-16(22)7-6-14(19-21)15-5-3-11-24-15/h3,5-7,11,13H,2,4,8-10,12H2,1H3,(H,18,23)
InChIKeySKGOCVUYKGHWAQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.96
Rot. Bonds5

About N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide (PubChem CID 121034408) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide
PubChem CID121034408
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCCn2nc(-c3ccco3)ccc2=O)C1
InChIInChI=1S/C17H22N4O3/c1-20-9-2-4-13(12-20)17(23)18-8-10-21-16(22)7-6-14(19-21)15-5-3-11-24-15/h3,5-7,11,13H,2,4,8-10,12H2,1H3,(H,18,23)
InChIKeySKGOCVUYKGHWAQ-UHFFFAOYSA-N
XLogP0.96
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide (CID 121034408) is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide is CN1CCCC(C(=O)NCCn2nc(-c3ccco3)ccc2=O)C1.
What is the InChIKey of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is SKGOCVUYKGHWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-20-9-2-4-13(12-20)17(23)18-8-10-21-16(22)7-6-14(19-21)15-5-3-11-24-15/h3,5-7,11,13H,2,4,8-10,12H2,1H3,(H,18,23).
What are the key properties of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide?
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 121034408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).