N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide

C19H19N3O3 — CID 121076031

IUPACN-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)n2nc(-c3ccco3)ccc2=O)cc1C
InChIInChI=1S/C19H19N3O3/c1-12-6-7-15(11-13(12)2)20-19(24)14(3)22-18(23)9-8-16(21-22)17-5-4-10-25-17/h4-11,14H,1-3H3,(H,20,24)
InChIKeyANTJXGZPMUGJOP-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.32
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide

N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 121076031) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
PubChem CID121076031
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
SMILESCc1ccc(NC(=O)C(C)n2nc(-c3ccco3)ccc2=O)cc1C
InChIInChI=1S/C19H19N3O3/c1-12-6-7-15(11-13(12)2)20-19(24)14(3)22-18(23)9-8-16(21-22)17-5-4-10-25-17/h4-11,14H,1-3H3,(H,20,24)
InChIKeyANTJXGZPMUGJOP-UHFFFAOYSA-N
XLogP3.32
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076032
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 121075999
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide
CID 121076227
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide
CID 121076102
N-(3,4-dimethylphenyl)-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 142338864
N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076279
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076138
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 121076062
N-(1,3-benzothiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076019
(2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 52906560
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)propanamide
CID 90545020

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide (CID 121076031) is N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide is Cc1ccc(NC(=O)C(C)n2nc(-c3ccco3)ccc2=O)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is ANTJXGZPMUGJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-6-7-15(11-13(12)2)20-19(24)14(3)22-18(23)9-8-16(21-22)17-5-4-10-25-17/h4-11,14H,1-3H3,(H,20,24).
What are the key properties of N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide?
N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 337.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 121076031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).