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

C19H20N4O2S — CID 30866938

IUPAC1-[6-(furan-2-yl)pyridazin-3-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C19H20N4O2S/c24-19(20-13-15-3-2-12-26-15)14-7-9-23(10-8-14)18-6-5-16(21-22-18)17-4-1-11-25-17/h1-6,11-12,14H,7-10,13H2,(H,20,24)
InChIKeyPZVLOCYRRJVRFR-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.33
Rot. Bonds5

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

1-[6-(furan-2-yl)pyridazin-3-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 30866938) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(furan-2-yl)pyridazin-3-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID30866938
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-[6-(furan-2-yl)pyridazin-3-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1cccs1)C1CCN(c2ccc(-c3ccco3)nn2)CC1
InChIInChI=1S/C19H20N4O2S/c24-19(20-13-15-3-2-12-26-15)14-7-9-23(10-8-14)18-6-5-16(21-22-18)17-4-1-11-25-17/h1-6,11-12,14H,7-10,13H2,(H,20,24)
InChIKeyPZVLOCYRRJVRFR-UHFFFAOYSA-N
XLogP3.33
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 30866938) is 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1cccs1)C1CCN(c2ccc(-c3ccco3)nn2)CC1.
What is the InChIKey of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is PZVLOCYRRJVRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-19(20-13-15-3-2-12-26-15)14-7-9-23(10-8-14)18-6-5-16(21-22-18)17-4-1-11-25-17/h1-6,11-12,14H,7-10,13H2,(H,20,24).
What are the key properties of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-[6-(furan-2-yl)pyridazin-3-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.33, 5 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-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 30866938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).