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

C26H24N4O3 — CID 121071686

IUPAC1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)C1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C26H24N4O3/c31-26(27-21-9-4-5-10-24(21)33-20-7-2-1-3-8-20)19-14-16-30(17-15-19)25-13-12-22(28-29-25)23-11-6-18-32-23/h1-13,18-19H,14-17H2,(H,27,31)
InChIKeyNQGFNYFLJKZUOC-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.38
Rot. Bonds6

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

1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide (PubChem CID 121071686) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
PubChem CID121071686
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)C1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C26H24N4O3/c31-26(27-21-9-4-5-10-24(21)33-20-7-2-1-3-8-20)19-14-16-30(17-15-19)25-13-12-22(28-29-25)23-11-6-18-32-23/h1-13,18-19H,14-17H2,(H,27,31)
InChIKeyNQGFNYFLJKZUOC-UHFFFAOYSA-N
XLogP5.38
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(furan-2-yl)pyridazin-3-yl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 121071725
N-(2-cyanophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 121071650
N-(2,4-difluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364392
N-(2,5-difluorophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364631
N-(4-bromophenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364520
N-(4-carbamoylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364254
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide
CID 30364580
N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364463
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 30364305
1-(6-methylpyridazin-3-yl)-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 121118622
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 30364330
ethyl 2-[2-[[1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 30866950

Frequently Asked Questions

What is the IUPAC name of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide (CID 121071686) is 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)C1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
The InChIKey is NQGFNYFLJKZUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-26(27-21-9-4-5-10-24(21)33-20-7-2-1-3-8-20)19-14-16-30(17-15-19)25-13-12-22(28-29-25)23-11-6-18-32-23/h1-13,18-19H,14-17H2,(H,27,31).
What are the key properties of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide?
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 121071686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).