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

C21H21FN4O2 — CID 30866782

IUPAC1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C21H21FN4O2/c22-17-5-3-15(4-6-17)19-7-8-20(25-24-19)26-11-9-16(10-12-26)21(27)23-14-18-2-1-13-28-18/h1-8,13,16H,9-12,14H2,(H,23,27)
InChIKeyNHTUCHOSZUXCST-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.41
Rot. Bonds5

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

1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 30866782) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID30866782
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C21H21FN4O2/c22-17-5-3-15(4-6-17)19-7-8-20(25-24-19)26-11-9-16(10-12-26)21(27)23-14-18-2-1-13-28-18/h1-8,13,16H,9-12,14H2,(H,23,27)
InChIKeyNHTUCHOSZUXCST-UHFFFAOYSA-N
XLogP3.41
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 30866782) is 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1.
What is the InChIKey of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is NHTUCHOSZUXCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-5-3-15(4-6-17)19-7-8-20(25-24-19)26-11-9-16(10-12-26)21(27)23-14-18-2-1-13-28-18/h1-8,13,16H,9-12,14H2,(H,23,27).
What are the key properties of 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 30866782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).