[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate

C19H23N3O6 — CID 18091621

IUPAC[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OC(C)C(=O)Nc2ccc(OC)c(OC)c2)ccc1=O
InChIInChI=1S/C19H23N3O6/c1-5-10-22-17(23)9-7-14(21-22)19(25)28-12(2)18(24)20-13-6-8-15(26-3)16(11-13)27-4/h6-9,11-12H,5,10H2,1-4H3,(H,20,24)
InChIKeyKWOVOQQAHADWFV-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.85
Rot. Bonds8

About [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate

[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate (PubChem CID 18091621) has the molecular formula C19H23N3O6 and a molecular weight of 389.41 g/mol. Its IUPAC name is [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate.

Molecular Properties

Compound Name[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate
PubChem CID18091621
Molecular FormulaC19H23N3O6
Molecular Weight389.41 g/mol
Exact Mass389.16
IUPAC Name[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OC(C)C(=O)Nc2ccc(OC)c(OC)c2)ccc1=O
InChIInChI=1S/C19H23N3O6/c1-5-10-22-17(23)9-7-14(21-22)19(25)28-12(2)18(24)20-13-6-8-15(26-3)16(11-13)27-4/h6-9,11-12H,5,10H2,1-4H3,(H,20,24)
InChIKeyKWOVOQQAHADWFV-UHFFFAOYSA-N
XLogP1.85
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 18289394
methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate
CID 18081327
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080743
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 18283472
[1-(4-methylphenyl)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080825
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 55418035
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 2103722
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 42972197
[1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080601
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 46624841
[(2R)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] thiophene-3-carboxylate
CID 9383459
[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 9003079

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate?
The IUPAC name of [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate (CID 18091621) is [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate.
What is the SMILES notation for [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate?
The canonical SMILES for [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate is CCCn1nc(C(=O)OC(C)C(=O)Nc2ccc(OC)c(OC)c2)ccc1=O.
What is the InChIKey of [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate?
The InChIKey is KWOVOQQAHADWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6/c1-5-10-22-17(23)9-7-14(21-22)19(25)28-12(2)18(24)20-13-6-8-15(26-3)16(11-13)27-4/h6-9,11-12H,5,10H2,1-4H3,(H,20,24).
What are the key properties of [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate?
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate is sourced from PubChem (CID 18091621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).