methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate

C20H17N3O3 — CID 129240369

IUPACmethyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(-c3ccccc3)c2C)nn1
InChIInChI=1S/C20H17N3O3/c1-13-15(14-7-4-3-5-8-14)9-6-10-16(13)21-19(24)17-11-12-18(23-22-17)20(25)26-2/h3-12H,1-2H3,(H,21,24)
InChIKeyOHDRXBKWIRJTBR-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.49
Rot. Bonds4

About methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate

methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate (PubChem CID 129240369) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate
PubChem CID129240369
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Namemethyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(-c3ccccc3)c2C)nn1
InChIInChI=1S/C20H17N3O3/c1-13-15(14-7-4-3-5-8-14)9-6-10-16(13)21-19(24)17-11-12-18(23-22-17)20(25)26-2/h3-12H,1-2H3,(H,21,24)
InChIKeyOHDRXBKWIRJTBR-UHFFFAOYSA-N
XLogP3.49
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
N-(2,3-dimethylphenyl)-6-phenylpyridazine-3-carboxamide
CID 113200610
[2-chloro-3-[3-[(4-methoxycarbonyl-1-methylimidazole-2-carbonyl)amino]-2-methylphenyl]phenyl]carbamic acid
CID 175858021
6-chloro-N-(3-chloro-2-methylphenyl)pyridazine-3-carboxamide
CID 54927236
N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109127162
5-formyl-N-(2-methyl-3-phenylphenyl)-1,3-thiazole-2-carboxamide
CID 134282246
methyl 2-amino-3-[(2-phenylbenzoyl)amino]benzoate
CID 141290737
ethane;methyl 2-(2-methyl-3-phenylphenyl)furo[2,3-b]pyridine-6-carboxylate
CID 145315321
N-(2,3-dichlorophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200687
N-(2-phenylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121027928
N-(2-fluorophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200620
6-methoxy-N-(2-phenylphenyl)pyrimidine-4-carboxamide
CID 121167320

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate (CID 129240369) is methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2cccc(-c3ccccc3)c2C)nn1.
What is the InChIKey of methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate?
The InChIKey is OHDRXBKWIRJTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-13-15(14-7-4-3-5-8-14)9-6-10-16(13)21-19(24)17-11-12-18(23-22-17)20(25)26-2/h3-12H,1-2H3,(H,21,24).
What are the key properties of methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate?
methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate has a molecular weight of 347.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-methyl-3-phenylphenyl)carbamoyl]pyridazine-3-carboxylate is sourced from PubChem (CID 129240369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).