N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide

C20H18N4O2 — CID 109126778

IUPACN-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3C)nn2)cc1
InChIInChI=1S/C20H18N4O2/c1-13-5-3-4-6-17(13)22-19-12-11-18(23-24-19)20(26)21-16-9-7-15(8-10-16)14(2)25/h3-12H,1-2H3,(H,21,26)(H,22,24)
InChIKeyRMUGYMYSSFSWTP-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.98
Rot. Bonds5

About N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide

N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide (PubChem CID 109126778) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
PubChem CID109126778
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3C)nn2)cc1
InChIInChI=1S/C20H18N4O2/c1-13-5-3-4-6-17(13)22-19-12-11-18(23-24-19)20(26)21-16-9-7-15(8-10-16)14(2)25/h3-12H,1-2H3,(H,21,26)(H,22,24)
InChIKeyRMUGYMYSSFSWTP-UHFFFAOYSA-N
XLogP3.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
N-(4-acetylphenyl)-6-(2-methyl-6-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128294
N-(4-acetylphenyl)-6-(2-ethyl-6-methylanilino)pyridazine-3-carboxamide
CID 109128126
N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127716
N-(4-acetylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219035
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126791
6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide
CID 109128335
2-N-(4-acetylphenyl)-6-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100082
N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128908
N-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127587

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide (CID 109126778) is N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(Nc3ccccc3C)nn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide?
The InChIKey is RMUGYMYSSFSWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-5-3-4-6-17(13)22-19-12-11-18(23-24-19)20(26)21-16-9-7-15(8-10-16)14(2)25/h3-12H,1-2H3,(H,21,26)(H,22,24).
What are the key properties of N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide?
N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109126778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).