6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide

C21H18N4O3 — CID 109129827

IUPAC6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Nc3ccc(C(C)=O)cc3)nn2)cc1
InChIInChI=1S/C21H18N4O3/c1-13(26)15-3-7-17(8-4-15)22-20-12-11-19(24-25-20)21(28)23-18-9-5-16(6-10-18)14(2)27/h3-12H,1-2H3,(H,22,25)(H,23,28)
InChIKeyNQCGQJWUQKDZGT-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.88
Rot. Bonds6

About 6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide

6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide (PubChem CID 109129827) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
PubChem CID109129827
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Nc3ccc(C(C)=O)cc3)nn2)cc1
InChIInChI=1S/C21H18N4O3/c1-13(26)15-3-7-17(8-4-15)22-20-12-11-19(24-25-20)21(28)23-18-9-5-16(6-10-18)14(2)27/h3-12H,1-2H3,(H,22,25)(H,23,28)
InChIKeyNQCGQJWUQKDZGT-UHFFFAOYSA-N
XLogP3.88
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide
CID 109128335
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
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
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-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide (CID 109129827) is 6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(Nc3ccc(C(C)=O)cc3)nn2)cc1.
What is the InChIKey of 6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide?
The InChIKey is NQCGQJWUQKDZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13(26)15-3-7-17(8-4-15)22-20-12-11-19(24-25-20)21(28)23-18-9-5-16(6-10-18)14(2)27/h3-12H,1-2H3,(H,22,25)(H,23,28).
What are the key properties of 6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide?
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109129827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).