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

C21H18N4O3 — CID 109129785

IUPAC6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Nc3cccc(C(C)=O)c3)nn2)cc1
InChIInChI=1S/C21H18N4O3/c1-13(26)15-6-8-17(9-7-15)23-21(28)19-10-11-20(25-24-19)22-18-5-3-4-16(12-18)14(2)27/h3-12H,1-2H3,(H,22,25)(H,23,28)
InChIKeyGWYRSAXGDNHWBC-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.88
Rot. Bonds6

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

6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide (PubChem CID 109129785) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
PubChem CID109129785
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(Nc3cccc(C(C)=O)c3)nn2)cc1
InChIInChI=1S/C21H18N4O3/c1-13(26)15-6-8-17(9-7-15)23-21(28)19-10-11-20(25-24-19)22-18-5-3-4-16(12-18)14(2)27/h3-12H,1-2H3,(H,22,25)(H,23,28)
InChIKeyGWYRSAXGDNHWBC-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

Analyze 6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109129841
N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127716
methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126698
6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide
CID 109128335
methyl 3-[[6-[(4-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128785
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
N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110326

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide (CID 109129785) is 6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(Nc3cccc(C(C)=O)c3)nn2)cc1.
What is the InChIKey of 6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide?
The InChIKey is GWYRSAXGDNHWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13(26)15-6-8-17(9-7-15)23-21(28)19-10-11-20(25-24-19)22-18-5-3-4-16(12-18)14(2)27/h3-12H,1-2H3,(H,22,25)(H,23,28).
What are the key properties of 6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide?
6-(3-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-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109129785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).