N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide

C19H17N3O5 — CID 121076255

IUPACN-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc2c(c1)OCO2)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C19H17N3O5/c1-19(2,18(24)20-12-5-7-15-16(10-12)27-11-26-15)22-17(23)8-6-13(21-22)14-4-3-9-25-14/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyTZVZREBKFXUAEP-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.61
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide

N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide (PubChem CID 121076255) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
PubChem CID121076255
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc2c(c1)OCO2)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C19H17N3O5/c1-19(2,18(24)20-12-5-7-15-16(10-12)27-11-26-15)22-17(23)8-6-13(21-22)14-4-3-9-25-14/h3-10H,11H2,1-2H3,(H,20,24)
InChIKeyTZVZREBKFXUAEP-UHFFFAOYSA-N
XLogP2.61
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-methylsulfanylphenyl)propanamide
CID 121076395
N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 7659439
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(3-nitrophenyl)propanamide
CID 121076257
N-[4-(2-acetamidoethoxy)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076428
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-phenylphenyl)propanamide
CID 121076322
N-(2-cyano-4-nitrophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076332
N-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1369870
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967401
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958506
N-(1,3-benzodioxol-5-yl)-2,2-dimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108968510
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076426
N-(1,3-benzodioxol-5-yl)-2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetamide
CID 6402772

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide (CID 121076255) is N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide is CC(C)(C(=O)Nc1ccc2c(c1)OCO2)n1nc(-c2ccco2)ccc1=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
The InChIKey is TZVZREBKFXUAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-19(2,18(24)20-12-5-7-15-16(10-12)27-11-26-15)22-17(23)8-6-13(21-22)14-4-3-9-25-14/h3-10H,11H2,1-2H3,(H,20,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide has a molecular weight of 367.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 121076255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).