N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide

C22H23N3O4 — CID 25249749

IUPACN-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESCCC(C(=O)Nc1cc(OC)ccc1OC)n1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C22H23N3O4/c1-4-19(22(27)23-18-14-16(28-2)10-12-20(18)29-3)25-21(26)13-11-17(24-25)15-8-6-5-7-9-15/h5-14,19H,4H2,1-3H3,(H,23,27)
InChIKeyHFXONVAODZSMJF-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.52
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide

N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide (PubChem CID 25249749) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
PubChem CID25249749
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESCCC(C(=O)Nc1cc(OC)ccc1OC)n1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C22H23N3O4/c1-4-19(22(27)23-18-14-16(28-2)10-12-20(18)29-3)25-21(26)13-11-17(24-25)15-8-6-5-7-9-15/h5-14,19H,4H2,1-3H3,(H,23,27)
InChIKeyHFXONVAODZSMJF-UHFFFAOYSA-N
XLogP3.52
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(2,4-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623427
(2R)-N-(3,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 28623281
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 40640795
N-(3-chlorophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 5064719
(2S)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623367
(2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 92735342
methyl (2S)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7659911
diethyl 1-[1-(2,5-dimethoxyanilino)-1-oxobutan-2-yl]triazole-4,5-dicarboxylate
CID 20852242
ethyl (2S)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7660049
2-[(2,5-dimethoxyphenyl)carbamoylamino]butanoic acid
CID 61181758
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623082
(2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 92735315

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide (CID 25249749) is N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide is CCC(C(=O)Nc1cc(OC)ccc1OC)n1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The InChIKey is HFXONVAODZSMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-4-19(22(27)23-18-14-16(28-2)10-12-20(18)29-3)25-21(26)13-11-17(24-25)15-8-6-5-7-9-15/h5-14,19H,4H2,1-3H3,(H,23,27).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide has a molecular weight of 393.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)butanamide is sourced from PubChem (CID 25249749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).