N-[6-(pyridin-4-ylmethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide

C15H12N4O2S — CID 42111616

IUPACN-[6-(pyridin-4-ylmethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(SCc2ccncc2)nn1)c1ccco1
InChIInChI=1S/C15H12N4O2S/c20-15(12-2-1-9-21-12)17-13-3-4-14(19-18-13)22-10-11-5-7-16-8-6-11/h1-9H,10H2,(H,17,18,20)
InChIKeyJMZRGDGTNGSHPV-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.01
Rot. Bonds5

About N-[6-(pyridin-4-ylmethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide

N-[6-(pyridin-4-ylmethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide (PubChem CID 42111616) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is N-[6-(pyridin-4-ylmethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-(pyridin-4-ylmethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide
PubChem CID42111616
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC NameN-[6-(pyridin-4-ylmethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(SCc2ccncc2)nn1)c1ccco1
InChIInChI=1S/C15H12N4O2S/c20-15(12-2-1-9-21-12)17-13-3-4-14(19-18-13)22-10-11-5-7-16-8-6-11/h1-9H,10H2,(H,17,18,20)
InChIKeyJMZRGDGTNGSHPV-UHFFFAOYSA-N
XLogP3.01
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(pyridin-4-ylmethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[6-(pyridin-4-ylmethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide (CID 42111616) is N-[6-(pyridin-4-ylmethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-(pyridin-4-ylmethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-(pyridin-4-ylmethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide is O=C(Nc1ccc(SCc2ccncc2)nn1)c1ccco1.
What is the InChIKey of N-[6-(pyridin-4-ylmethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide?
The InChIKey is JMZRGDGTNGSHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c20-15(12-2-1-9-21-12)17-13-3-4-14(19-18-13)22-10-11-5-7-16-8-6-11/h1-9H,10H2,(H,17,18,20).
What are the key properties of N-[6-(pyridin-4-ylmethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide?
N-[6-(pyridin-4-ylmethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(pyridin-4-ylmethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 42111616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).