2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide

C20H22N4O3 — CID 142656167

IUPAC2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide
SMILESCCN(CC)c1ccc2[nH]nc(NC(=O)Cc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C20H22N4O3/c1-3-24(4-2)14-6-7-16-15(11-14)20(23-22-16)21-19(25)10-13-5-8-17-18(9-13)27-12-26-17/h5-9,11H,3-4,10,12H2,1-2H3,(H2,21,22,23,25)
InChIKeyXSUCAGANYGYQPG-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.32
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide

2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide (PubChem CID 142656167) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide
PubChem CID142656167
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide
SMILESCCN(CC)c1ccc2[nH]nc(NC(=O)Cc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C20H22N4O3/c1-3-24(4-2)14-6-7-16-15(11-14)20(23-22-16)21-19(25)10-13-5-8-17-18(9-13)27-12-26-17/h5-9,11H,3-4,10,12H2,1-2H3,(H2,21,22,23,25)
InChIKeyXSUCAGANYGYQPG-UHFFFAOYSA-N
XLogP3.32
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide (CID 142656167) is 2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide is CCN(CC)c1ccc2[nH]nc(NC(=O)Cc3ccc4c(c3)OCO4)c2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide?
The InChIKey is XSUCAGANYGYQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-24(4-2)14-6-7-16-15(11-14)20(23-22-16)21-19(25)10-13-5-8-17-18(9-13)27-12-26-17/h5-9,11H,3-4,10,12H2,1-2H3,(H2,21,22,23,25).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[5-(diethylamino)-1H-indazol-3-yl]acetamide is sourced from PubChem (CID 142656167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).