methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate

C25H19N3O4 — CID 108803578

IUPACmethyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)c1
InChIInChI=1S/C25H19N3O4/c1-32-25(31)18-13-8-14-19(15-18)26-23(29)21-20(16-9-4-2-5-10-16)22(27-28-24(21)30)17-11-6-3-7-12-17/h2-15H,1H3,(H,26,29)(H,28,30)
InChIKeyBVAXJRRCTCDBTC-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.14
Rot. Bonds5

About methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate

methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate (PubChem CID 108803578) has the molecular formula C25H19N3O4 and a molecular weight of 425.44 g/mol. Its IUPAC name is methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate
PubChem CID108803578
Molecular FormulaC25H19N3O4
Molecular Weight425.44 g/mol
Exact Mass425.14
IUPAC Namemethyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)c1
InChIInChI=1S/C25H19N3O4/c1-32-25(31)18-13-8-14-19(15-18)26-23(29)21-20(16-9-4-2-5-10-16)22(27-28-24(21)30)17-11-6-3-7-12-17/h2-15H,1H3,(H,26,29)(H,28,30)
InChIKeyBVAXJRRCTCDBTC-UHFFFAOYSA-N
XLogP4.14
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate with MolForge

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Related Compounds

6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide
CID 108790884
2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid
CID 108790984
N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790883
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 16957838
N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790914
6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide
CID 16832284
methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 43404072
2-methyl-2-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]propanoic acid
CID 108803564
N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790907
N-(6-chloro-1,3-benzothiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108739115
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate (CID 108803578) is methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)c1.
What is the InChIKey of methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate?
The InChIKey is BVAXJRRCTCDBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4/c1-32-25(31)18-13-8-14-19(15-18)26-23(29)21-20(16-9-4-2-5-10-16)22(27-28-24(21)30)17-11-6-3-7-12-17/h2-15H,1H3,(H,26,29)(H,28,30).
What are the key properties of methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate?
methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate has a molecular weight of 425.44 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate is sourced from PubChem (CID 108803578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).