N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide

C22H21N5O — CID 113046653

IUPACN-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
SMILESCCc1ccccc1Nc1ccc(NC(=O)Cc2c[nH]c3ccccc23)nn1
InChIInChI=1S/C22H21N5O/c1-2-15-7-3-5-9-18(15)24-20-11-12-21(27-26-20)25-22(28)13-16-14-23-19-10-6-4-8-17(16)19/h3-12,14,23H,2,13H2,1H3,(H,24,26)(H,25,27,28)
InChIKeyWJVUMEAOSBQYFK-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.45
Rot. Bonds6

About N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide

N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide (PubChem CID 113046653) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
PubChem CID113046653
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
SMILESCCc1ccccc1Nc1ccc(NC(=O)Cc2c[nH]c3ccccc23)nn1
InChIInChI=1S/C22H21N5O/c1-2-15-7-3-5-9-18(15)24-20-11-12-21(27-26-20)25-22(28)13-16-14-23-19-10-6-4-8-17(16)19/h3-12,14,23H,2,13H2,1H3,(H,24,26)(H,25,27,28)
InChIKeyWJVUMEAOSBQYFK-UHFFFAOYSA-N
XLogP4.45
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113047370
2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
CID 113045828
2-(1H-indol-3-yl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]acetamide
CID 113051735
N-[2-(hydroxymethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 60653710
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113046657
N-[6-(2-ethoxyanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113019606
2-(1H-indol-3-yl)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide
CID 113042337
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113047833
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113017273
4-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxamide
CID 126852042
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009
2-(1H-indol-3-yl)-N-(2-oxo-1H-pyridin-3-yl)acetamide
CID 51101093

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide (CID 113046653) is N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide is CCc1ccccc1Nc1ccc(NC(=O)Cc2c[nH]c3ccccc23)nn1.
What is the InChIKey of N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is WJVUMEAOSBQYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-2-15-7-3-5-9-18(15)24-20-11-12-21(27-26-20)25-22(28)13-16-14-23-19-10-6-4-8-17(16)19/h3-12,14,23H,2,13H2,1H3,(H,24,26)(H,25,27,28).
What are the key properties of N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide?
N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113046653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).