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

C21H19N5O3 — CID 109129787

IUPACN-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Nc3cccc(C(C)=O)c3)nn2)cc1
InChIInChI=1S/C21H19N5O3/c1-13(27)15-4-3-5-18(12-15)23-20-11-10-19(25-26-20)21(29)24-17-8-6-16(7-9-17)22-14(2)28/h3-12H,1-2H3,(H,22,28)(H,23,26)(H,24,29)
InChIKeyATGVQWRCUWPRLR-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.63
Rot. Bonds6

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

N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide (PubChem CID 109129787) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
PubChem CID109129787
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Nc3cccc(C(C)=O)c3)nn2)cc1
InChIInChI=1S/C21H19N5O3/c1-13(27)15-4-3-5-18(12-15)23-20-11-10-19(25-26-20)21(29)24-17-8-6-16(7-9-17)22-14(2)28/h3-12H,1-2H3,(H,22,28)(H,23,26)(H,24,29)
InChIKeyATGVQWRCUWPRLR-UHFFFAOYSA-N
XLogP3.63
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(4-acetamidophenyl)-6-(3-acetylanilino)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-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109129868
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109128669
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
methyl 3-[[6-(phenylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109126698
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 N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide (CID 109129787) is N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(Nc3cccc(C(C)=O)c3)nn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide?
The InChIKey is ATGVQWRCUWPRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13(27)15-4-3-5-18(12-15)23-20-11-10-19(25-26-20)21(29)24-17-8-6-16(7-9-17)22-14(2)28/h3-12H,1-2H3,(H,22,28)(H,23,26)(H,24,29).
What are the key properties of N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide?
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109129787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).