6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide

C23H24N4O2 — CID 109128335

IUPAC6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)nn2)cc1
InChIInChI=1S/C23H24N4O2/c1-15(28)16-5-9-18(10-6-16)24-21-14-13-20(26-27-21)22(29)25-19-11-7-17(8-12-19)23(2,3)4/h5-14H,1-4H3,(H,24,27)(H,25,29)
InChIKeyKFGRPMAZZHYBGS-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.97
Rot. Bonds5

About 6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide

6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide (PubChem CID 109128335) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide
PubChem CID109128335
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)nn2)cc1
InChIInChI=1S/C23H24N4O2/c1-15(28)16-5-9-18(10-6-16)24-21-14-13-20(26-27-21)22(29)25-19-11-7-17(8-12-19)23(2,3)4/h5-14H,1-4H3,(H,24,27)(H,25,29)
InChIKeyKFGRPMAZZHYBGS-UHFFFAOYSA-N
XLogP4.97
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.97
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-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127716
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
6-(4-methylanilino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109127010
N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126778
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109129841
6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide
CID 109109344
N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113049129

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide (CID 109128335) is 6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide is CC(=O)c1ccc(Nc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)nn2)cc1.
What is the InChIKey of 6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide?
The InChIKey is KFGRPMAZZHYBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15(28)16-5-9-18(10-6-16)24-21-14-13-20(26-27-21)22(29)25-19-11-7-17(8-12-19)23(2,3)4/h5-14H,1-4H3,(H,24,27)(H,25,29).
What are the key properties of 6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide?
6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109128335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).