N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide

C21H21N5O2 — CID 109127909

IUPACN-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
SMILESCCc1ccccc1Nc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)nn1
InChIInChI=1S/C21H21N5O2/c1-3-15-7-4-5-10-18(15)24-20-12-11-19(25-26-20)21(28)23-17-9-6-8-16(13-17)22-14(2)27/h4-13H,3H2,1-2H3,(H,22,27)(H,23,28)(H,24,26)
InChIKeyGGFIXZAYAZAYEG-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.99
Rot. Bonds6

About N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide

N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide (PubChem CID 109127909) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
PubChem CID109127909
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
SMILESCCc1ccccc1Nc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)nn1
InChIInChI=1S/C21H21N5O2/c1-3-15-7-4-5-10-18(15)24-20-12-11-19(25-26-20)21(28)23-17-9-6-8-16(13-17)22-14(2)27/h4-13H,3H2,1-2H3,(H,22,27)(H,23,28)(H,24,26)
InChIKeyGGFIXZAYAZAYEG-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

6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 109127942
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109128669
N-(2-ethoxyphenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127901
N-(2-cyanophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127922
6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
N-(2-ethylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 55042896
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126791
5-(2-ethylanilino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109197300
6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109129868
ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128721

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide (CID 109127909) is N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide is CCc1ccccc1Nc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)nn1.
What is the InChIKey of N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide?
The InChIKey is GGFIXZAYAZAYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-3-15-7-4-5-10-18(15)24-20-12-11-19(25-26-20)21(28)23-17-9-6-8-16(13-17)22-14(2)27/h4-13H,3H2,1-2H3,(H,22,27)(H,23,28)(H,24,26).
What are the key properties of N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide?
N-(3-acetamidophenyl)-6-(2-ethylanilino)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 N-(3-acetamidophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109127909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).