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

C21H19N5O3 — CID 109129848

IUPAC6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)Nc3ccc(C(C)=O)cc3)nn2)c1
InChIInChI=1S/C21H19N5O3/c1-13(27)15-6-8-16(9-7-15)24-21(29)19-10-11-20(26-25-19)23-18-5-3-4-17(12-18)22-14(2)28/h3-12H,1-2H3,(H,22,28)(H,23,26)(H,24,29)
InChIKeyHJOYNARRMLCPJT-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.63
Rot. Bonds6

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

6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide (PubChem CID 109129848) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
PubChem CID109129848
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ccc(C(=O)Nc3ccc(C(C)=O)cc3)nn2)c1
InChIInChI=1S/C21H19N5O3/c1-13(27)15-6-8-16(9-7-15)24-21(29)19-10-11-20(26-25-19)23-18-5-3-4-17(12-18)22-14(2)28/h3-12H,1-2H3,(H,22,28)(H,23,26)(H,24,29)
InChIKeyHJOYNARRMLCPJT-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

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Related Compounds

6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109129868
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109128669
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
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-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide
CID 109128335
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
N-(4-acetylphenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126778

Frequently Asked Questions

What is the IUPAC name of 6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide (CID 109129848) is 6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide is CC(=O)Nc1cccc(Nc2ccc(C(=O)Nc3ccc(C(C)=O)cc3)nn2)c1.
What is the InChIKey of 6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide?
The InChIKey is HJOYNARRMLCPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-13(27)15-6-8-16(9-7-15)24-21(29)19-10-11-20(26-25-19)23-18-5-3-4-17(12-18)22-14(2)28/h3-12H,1-2H3,(H,22,28)(H,23,26)(H,24,29).
What are the key properties of 6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide?
6-(3-acetamidoanilino)-N-(4-acetylphenyl)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 6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109129848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).