N-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide

C21H20N4O2 — CID 109127587

IUPACN-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(Nc3cc(C)ccc3C)nn2)c1
InChIInChI=1S/C21H20N4O2/c1-13-7-8-14(2)19(11-13)23-20-10-9-18(24-25-20)21(27)22-17-6-4-5-16(12-17)15(3)26/h4-12H,1-3H3,(H,22,27)(H,23,25)
InChIKeyNMGZARFKVRFEBI-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.29
Rot. Bonds5

About N-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide

N-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide (PubChem CID 109127587) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
PubChem CID109127587
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(Nc3cc(C)ccc3C)nn2)c1
InChIInChI=1S/C21H20N4O2/c1-13-7-8-14(2)19(11-13)23-20-10-9-18(24-25-20)21(27)22-17-6-4-5-16(12-17)15(3)26/h4-12H,1-3H3,(H,22,27)(H,23,25)
InChIKeyNMGZARFKVRFEBI-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

methyl 3-[[6-(2,5-dimethylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109127592
N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128908
6-(3-acetylanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129575
methyl 3-[[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128865
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
N-(2,6-difluorophenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127605
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
6-(4-methylanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126943
N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126791
N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126778
6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109127582

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide (CID 109127587) is N-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(Nc3cc(C)ccc3C)nn2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide?
The InChIKey is NMGZARFKVRFEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-13-7-8-14(2)19(11-13)23-20-10-9-18(24-25-20)21(27)22-17-6-4-5-16(12-17)15(3)26/h4-12H,1-3H3,(H,22,27)(H,23,25).
What are the key properties of N-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide?
N-(3-acetylphenyl)-6-(2,5-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-(3-acetylphenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109127587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).