6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide

C21H22N6O2 — CID 109129868

IUPAC6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)Nc3ccc(N(C)C)cc3)nn2)c1
InChIInChI=1S/C21H22N6O2/c1-14(28)22-16-5-4-6-17(13-16)23-20-12-11-19(25-26-20)21(29)24-15-7-9-18(10-8-15)27(2)3/h4-13H,1-3H3,(H,22,28)(H,23,26)(H,24,29)
InChIKeyRDICOJYJJDNCNA-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.50
Rot. Bonds6

About 6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide

6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide (PubChem CID 109129868) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
PubChem CID109129868
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)Nc3ccc(N(C)C)cc3)nn2)c1
InChIInChI=1S/C21H22N6O2/c1-14(28)22-16-5-4-6-17(13-16)23-20-12-11-19(25-26-20)21(29)24-15-7-9-18(10-8-15)27(2)3/h4-13H,1-3H3,(H,22,28)(H,23,26)(H,24,29)
InChIKeyRDICOJYJJDNCNA-UHFFFAOYSA-N
XLogP3.50
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]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

6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109128669
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
6-[4-(dimethylamino)anilino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127754
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109129724
6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129399
N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127978
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109128635

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide (CID 109129868) is 6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide is CC(=O)Nc1cccc(Nc2ccc(C(=O)Nc3ccc(N(C)C)cc3)nn2)c1.
What is the InChIKey of 6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide?
The InChIKey is RDICOJYJJDNCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-14(28)22-16-5-4-6-17(13-16)23-20-12-11-19(25-26-20)21(29)24-15-7-9-18(10-8-15)27(2)3/h4-13H,1-3H3,(H,22,28)(H,23,26)(H,24,29).
What are the key properties of 6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide?
6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109129868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).