N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide

C20H19N5O3 — CID 109129349

IUPACN-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)nn2)cc1
InChIInChI=1S/C20H19N5O3/c1-13(26)21-14-3-5-16(6-4-14)23-20(27)18-11-12-19(25-24-18)22-15-7-9-17(28-2)10-8-15/h3-12H,1-2H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyMTOFVGZAQZHEKW-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.44
Rot. Bonds6

About N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide

N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide (PubChem CID 109129349) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
PubChem CID109129349
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC NameN-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)nn2)cc1
InChIInChI=1S/C20H19N5O3/c1-13(26)21-14-3-5-16(6-4-14)23-20(27)18-11-12-19(25-24-18)22-15-7-9-17(28-2)10-8-15/h3-12H,1-2H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyMTOFVGZAQZHEKW-UHFFFAOYSA-N
XLogP3.44
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129399
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049288
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236
ethyl 4-[[6-(4-methoxyanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129362
6-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109128356
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
6-(4-methylanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127010
6-(2,4-dichloroanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129412

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide (CID 109129349) is N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide is COc1ccc(Nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)nn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide?
The InChIKey is MTOFVGZAQZHEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-13(26)21-14-3-5-16(6-4-14)23-20(27)18-11-12-19(25-24-18)22-15-7-9-17(28-2)10-8-15/h3-12H,1-2H3,(H,21,26)(H,22,25)(H,23,27).
What are the key properties of N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide?
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109129349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).