2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide

C22H22N4O3 — CID 52906564

IUPAC2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCCc1c[nH]c2ccccc12)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C22H22N4O3/c1-22(2,26-20(27)10-9-18(25-26)19-8-5-13-29-19)21(28)23-12-11-15-14-24-17-7-4-3-6-16(15)17/h3-10,13-14,24H,11-12H2,1-2H3,(H,23,28)
InChIKeySXSLTFNXOLBNAV-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.08
Rot. Bonds6

About 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide (PubChem CID 52906564) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
PubChem CID52906564
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NCCc1c[nH]c2ccccc12)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C22H22N4O3/c1-22(2,26-20(27)10-9-18(25-26)19-8-5-13-29-19)21(28)23-12-11-15-14-24-17-7-4-3-6-16(15)17/h3-10,13-14,24H,11-12H2,1-2H3,(H,23,28)
InChIKeySXSLTFNXOLBNAV-UHFFFAOYSA-N
XLogP3.08
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 121090616
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 53368196
2-amino-6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 11416733
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-phenylphenyl)propanamide
CID 121076322
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-pyridin-2-ylpropanamide
CID 121076263
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 9343330
N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 121076279
2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 30850555
2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
CID 79805542
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849781
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 121050894

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide (CID 52906564) is 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide is CC(C)(C(=O)NCCc1c[nH]c2ccccc12)n1nc(-c2ccco2)ccc1=O.
What is the InChIKey of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
The InChIKey is SXSLTFNXOLBNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-22(2,26-20(27)10-9-18(25-26)19-8-5-13-29-19)21(28)23-12-11-15-14-24-17-7-4-3-6-16(15)17/h3-10,13-14,24H,11-12H2,1-2H3,(H,23,28).
What are the key properties of 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide has a molecular weight of 390.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 52906564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).