2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide

C21H19N5O — CID 113045828

IUPAC2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
SMILESCc1ccc(Nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)nn2)cc1
InChIInChI=1S/C21H19N5O/c1-14-6-8-16(9-7-14)23-19-10-11-20(26-25-19)24-21(27)12-15-13-22-18-5-3-2-4-17(15)18/h2-11,13,22H,12H2,1H3,(H,23,25)(H,24,26,27)
InChIKeyOAHWPCAQXOWNHZ-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.19
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide

2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide (PubChem CID 113045828) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
PubChem CID113045828
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
SMILESCc1ccc(Nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)nn2)cc1
InChIInChI=1S/C21H19N5O/c1-14-6-8-16(9-7-14)23-19-10-11-20(26-25-19)24-21(27)12-15-13-22-18-5-3-2-4-17(15)18/h2-11,13,22H,12H2,1H3,(H,23,25)(H,24,26,27)
InChIKeyOAHWPCAQXOWNHZ-UHFFFAOYSA-N
XLogP4.19
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-ethylanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113046653
2-(1H-indol-3-yl)-N-[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]acetamide
CID 113051735
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113047833
N-[6-(2-chloroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113047370
2-(1H-indol-3-yl)-N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]acetamide
CID 112990361
2-(2-bromophenyl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
CID 113045862
N-[6-(4-chloroanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113018608
2-(1H-indol-3-yl)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide
CID 113042337
2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
CID 113023581
2-(1H-indol-3-yl)-N-[6-(4-methylphenoxy)-3-pyridinyl]acetamide
CID 52649446
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113017273
N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide (CID 113045828) is 2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide is Cc1ccc(Nc2ccc(NC(=O)Cc3c[nH]c4ccccc34)nn2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide?
The InChIKey is OAHWPCAQXOWNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14-6-8-16(9-7-14)23-19-10-11-20(26-25-19)24-21(27)12-15-13-22-18-5-3-2-4-17(15)18/h2-11,13,22H,12H2,1H3,(H,23,25)(H,24,26,27).
What are the key properties of 2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide?
2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide has a molecular weight of 357.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113045828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).