N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide

C17H14N4O4 — CID 113040678

IUPACN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(NCc2ccco2)nn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H14N4O4/c22-17(11-3-4-13-14(8-11)25-10-24-13)19-16-6-5-15(20-21-16)18-9-12-2-1-7-23-12/h1-8H,9-10H2,(H,18,20)(H,19,21,22)
InChIKeyPPIFRZFFXSAWAZ-UHFFFAOYSA-N
MW338.32 g/mol
LogP2.66
Rot. Bonds5

About N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide

N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 113040678) has the molecular formula C17H14N4O4 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID113040678
Molecular FormulaC17H14N4O4
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC NameN-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(NCc2ccco2)nn1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H14N4O4/c22-17(11-3-4-13-14(8-11)25-10-24-13)19-16-6-5-15(20-21-16)18-9-12-2-1-7-23-12/h1-8H,9-10H2,(H,18,20)(H,19,21,22)
InChIKeyPPIFRZFFXSAWAZ-UHFFFAOYSA-N
XLogP2.66
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112981821
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113040656
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113042002
3-chloro-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113040674
N-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109155289
N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113044676
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17439553
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040137
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113050244
2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46113981
2-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 94282177
2-bromo-N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113040647

Frequently Asked Questions

What is the IUPAC name of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide (CID 113040678) is N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(NCc2ccco2)nn1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is PPIFRZFFXSAWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4/c22-17(11-3-4-13-14(8-11)25-10-24-13)19-16-6-5-15(20-21-16)18-9-12-2-1-7-23-12/h1-8H,9-10H2,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 338.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 113040678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).