6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide

C21H21N5O2 — CID 109127942

IUPAC6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(Nc2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C21H21N5O2/c1-3-15-6-4-5-7-18(15)24-21(28)19-12-13-20(26-25-19)23-17-10-8-16(9-11-17)22-14(2)27/h4-13H,3H2,1-2H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyQYJKOENPAMCCEQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.99
Rot. Bonds6

About 6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide

6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide (PubChem CID 109127942) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide
PubChem CID109127942
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(Nc2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C21H21N5O2/c1-3-15-6-4-5-7-18(15)24-21(28)19-12-13-20(26-25-19)23-17-10-8-16(9-11-17)22-14(2)27/h4-13H,3H2,1-2H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyQYJKOENPAMCCEQ-UHFFFAOYSA-N
XLogP3.99
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127909
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109128147
6-(4-acetamidoanilino)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109128192
N-(2-ethylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 55042896
6-(4-ethylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126657
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
N-(2-ethoxyphenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127901
N-(2-cyanophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127922
6-chloro-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 60859186
N-(2-ethoxyphenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127965
6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide
CID 109129904

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide (CID 109127942) is 6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide is CCc1ccccc1NC(=O)c1ccc(Nc2ccc(NC(C)=O)cc2)nn1.
What is the InChIKey of 6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide?
The InChIKey is QYJKOENPAMCCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-3-15-6-4-5-7-18(15)24-21(28)19-12-13-20(26-25-19)23-17-10-8-16(9-11-17)22-14(2)27/h4-13H,3H2,1-2H3,(H,22,27)(H,23,26)(H,24,28).
What are the key properties of 6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide?
6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109127942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).