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

C20H18ClFN4O2 — CID 30866972

IUPACN-(3-chloro-4-fluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C20H18ClFN4O2/c21-15-12-14(3-4-16(15)22)23-20(27)13-7-9-26(10-8-13)19-6-5-17(24-25-19)18-2-1-11-28-18/h1-6,11-13H,7-10H2,(H,23,27)
InChIKeyFFMCZLDEINUWNO-UHFFFAOYSA-N
MW400.84 g/mol
LogP4.38
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 30866972) has the molecular formula C20H18ClFN4O2 and a molecular weight of 400.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID30866972
Molecular FormulaC20H18ClFN4O2
Molecular Weight400.84 g/mol
Exact Mass400.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C20H18ClFN4O2/c21-15-12-14(3-4-16(15)22)23-20(27)13-7-9-26(10-8-13)19-6-5-17(24-25-19)18-2-1-11-28-18/h1-6,11-13H,7-10H2,(H,23,27)
InChIKeyFFMCZLDEINUWNO-UHFFFAOYSA-N
XLogP4.38
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 30866972) is N-(3-chloro-4-fluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is FFMCZLDEINUWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O2/c21-15-12-14(3-4-16(15)22)23-20(27)13-7-9-26(10-8-13)19-6-5-17(24-25-19)18-2-1-11-28-18/h1-6,11-13H,7-10H2,(H,23,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 400.84 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 30866972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).