N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide

C21H20N4O2 — CID 109127716

IUPACN-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Nc3cc(C)cc(C)c3)nn2)cc1
InChIInChI=1S/C21H20N4O2/c1-13-10-14(2)12-18(11-13)22-20-9-8-19(24-25-20)21(27)23-17-6-4-16(5-7-17)15(3)26/h4-12H,1-3H3,(H,22,25)(H,23,27)
InChIKeyFMOUURPQXMEASJ-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.29
Rot. Bonds5

About N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide

N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide (PubChem CID 109127716) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
PubChem CID109127716
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Nc3cc(C)cc(C)c3)nn2)cc1
InChIInChI=1S/C21H20N4O2/c1-13-10-14(2)12-18(11-13)22-20-9-8-19(24-25-20)21(27)23-17-6-4-16(5-7-17)15(3)26/h4-12H,1-3H3,(H,22,25)(H,23,27)
InChIKeyFMOUURPQXMEASJ-UHFFFAOYSA-N
XLogP4.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.29
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
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide
CID 109128335
6-(4-methylanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127010
N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126778
ethyl 4-[[6-[(3,5-dimethylphenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109127759
6-[4-(dimethylamino)anilino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127754
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide
CID 109128262
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
N-(4-bromophenyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109126897

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide (CID 109127716) is N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(Nc3cc(C)cc(C)c3)nn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide?
The InChIKey is FMOUURPQXMEASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-10-14(2)12-18(11-13)22-20-9-8-19(24-25-20)21(27)23-17-6-4-16(5-7-17)15(3)26/h4-12H,1-3H3,(H,22,25)(H,23,27).
What are the key properties of N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide?
N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 4.29, 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-(3,5-dimethylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109127716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).