methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate

C20H16ClN3O4 — CID 34161619

IUPACmethyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)ccc1Cl
InChIInChI=1S/C20H16ClN3O4/c1-12-10-17(25)18(23-24(12)14-6-4-3-5-7-14)19(26)22-13-8-9-16(21)15(11-13)20(27)28-2/h3-11H,1-2H3,(H,22,26)
InChIKeyIYMJXBSMHNCQCJ-UHFFFAOYSA-N
MW397.82 g/mol
LogP3.23
Rot. Bonds4

About methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate

methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate (PubChem CID 34161619) has the molecular formula C20H16ClN3O4 and a molecular weight of 397.82 g/mol. Its IUPAC name is methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate
PubChem CID34161619
Molecular FormulaC20H16ClN3O4
Molecular Weight397.82 g/mol
Exact Mass397.08
IUPAC Namemethyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)ccc1Cl
InChIInChI=1S/C20H16ClN3O4/c1-12-10-17(25)18(23-24(12)14-6-4-3-5-7-14)19(26)22-13-8-9-16(21)15(11-13)20(27)28-2/h3-11H,1-2H3,(H,22,26)
InChIKeyIYMJXBSMHNCQCJ-UHFFFAOYSA-N
XLogP3.23
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 17399746
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
6-methyl-N-(4-methylsulfanylphenyl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8810913
dimethyl 5-[[1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 27667598
1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191703
methyl 2-chloro-5-[(2-phenyltriazole-4-carbonyl)amino]benzoate
CID 134003458
N-[4-(cyanomethyl)phenyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27163514
methyl 5-[[1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]-2,4-difluorobenzoate
CID 24659358
1-(4-chlorophenyl)-N-(4-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9077968
(4-acetamidophenyl) 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 56809288
N-[(2R)-4-methoxybutan-2-yl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 52843256
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8777407

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate (CID 34161619) is methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate is COC(=O)c1cc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate?
The InChIKey is IYMJXBSMHNCQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O4/c1-12-10-17(25)18(23-24(12)14-6-4-3-5-7-14)19(26)22-13-8-9-16(21)15(11-13)20(27)28-2/h3-11H,1-2H3,(H,22,26).
What are the key properties of methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate?
methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate has a molecular weight of 397.82 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 34161619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).