methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate

C18H21N3O6 — CID 18081327

IUPACmethyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate
SMILESCCCn1nc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)ccc1=O
InChIInChI=1S/C18H21N3O6/c1-5-8-21-16(22)7-6-12(20-21)17(23)19-13-10-15(26-3)14(25-2)9-11(13)18(24)27-4/h6-7,9-10H,5,8H2,1-4H3,(H,19,23)
InChIKeyHYXYVKHHEJTWAE-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.71
Rot. Bonds7

About methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate

methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate (PubChem CID 18081327) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate
PubChem CID18081327
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Namemethyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate
SMILESCCCn1nc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)ccc1=O
InChIInChI=1S/C18H21N3O6/c1-5-8-21-16(22)7-6-12(20-21)17(23)19-13-10-15(26-3)14(25-2)9-11(13)18(24)27-4/h6-7,9-10H,5,8H2,1-4H3,(H,19,23)
InChIKeyHYXYVKHHEJTWAE-UHFFFAOYSA-N
XLogP1.71
TPSA108.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate with MolForge

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Related Compounds

N-(6-methoxy-3-pyridinyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 18107814
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18091621
N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 24676491
N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 87004540
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-4,5-dimethoxybenzoate
CID 7742229
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080743
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 55654282
6-oxo-1-propyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 34757785
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489
methyl (2S)-3-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoate
CID 87040055
3-methoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 81077374

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate (CID 18081327) is methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate is CCCn1nc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)ccc1=O.
What is the InChIKey of methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate?
The InChIKey is HYXYVKHHEJTWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6/c1-5-8-21-16(22)7-6-12(20-21)17(23)19-13-10-15(26-3)14(25-2)9-11(13)18(24)27-4/h6-7,9-10H,5,8H2,1-4H3,(H,19,23).
What are the key properties of methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate?
methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate has a molecular weight of 375.38 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 18081327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).