2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide

C21H21N7O — CID 121066481

IUPAC2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCNc1ccc(Nc2cccnc2)nn1
InChIInChI=1S/C21H21N7O/c29-21(12-15-13-25-18-6-2-1-5-17(15)18)24-11-10-23-19-7-8-20(28-27-19)26-16-4-3-9-22-14-16/h1-9,13-14,25H,10-12H2,(H,23,27)(H,24,29)(H,26,28)
InChIKeyGOACATBYDMPHEU-UHFFFAOYSA-N
MW387.45 g/mol
LogP2.87
Rot. Bonds8

About 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide

2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide (PubChem CID 121066481) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
PubChem CID121066481
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCCNc1ccc(Nc2cccnc2)nn1
InChIInChI=1S/C21H21N7O/c29-21(12-15-13-25-18-6-2-1-5-17(15)18)24-11-10-23-19-7-8-20(28-27-19)26-16-4-3-9-22-14-16/h1-9,13-14,25H,10-12H2,(H,23,27)(H,24,29)(H,26,28)
InChIKeyGOACATBYDMPHEU-UHFFFAOYSA-N
XLogP2.87
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121066456
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropanecarboxamide
CID 122289299
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113055312
2-(1H-indol-3-yl)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide
CID 113042337
2-(1H-indol-3-yl)-N-[6-(4-methylanilino)pyridazin-3-yl]acetamide
CID 113045828
N-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 46400273
N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1-benzofuran-2-carboxamide
CID 122289354
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
N-pyridin-3-yl-1H-indole-3-carboxamide
CID 43399328
1-(4-fluorophenyl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]cyclopropane-1-carboxamide
CID 122289421
5-(furan-2-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122289324
N-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 53385177

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide (CID 121066481) is 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide is O=C(Cc1c[nH]c2ccccc12)NCCNc1ccc(Nc2cccnc2)nn1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The InChIKey is GOACATBYDMPHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c29-21(12-15-13-25-18-6-2-1-5-17(15)18)24-11-10-23-19-7-8-20(28-27-19)26-16-4-3-9-22-14-16/h1-9,13-14,25H,10-12H2,(H,23,27)(H,24,29)(H,26,28).
What are the key properties of 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide has a molecular weight of 387.45 g/mol, XLogP of 2.87, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[2-[[6-(pyridin-3-ylamino)pyridazin-3-yl]amino]ethyl]acetamide is sourced from PubChem (CID 121066481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).