N-(2,3-dihydro-1,4-benzodioxin-6-yl)indazole-1-carboxamide

C16H13N3O3 — CID 53006433

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)indazole-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)n1ncc2ccccc21
InChIInChI=1S/C16H13N3O3/c20-16(19-13-4-2-1-3-11(13)10-17-19)18-12-5-6-14-15(9-12)22-8-7-21-14/h1-6,9-10H,7-8H2,(H,18,20)
InChIKeyUVRUQIBBMWOSQC-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.89
Rot. Bonds1

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)indazole-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)indazole-1-carboxamide (PubChem CID 53006433) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)indazole-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)indazole-1-carboxamide
PubChem CID53006433
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)indazole-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)n1ncc2ccccc21
InChIInChI=1S/C16H13N3O3/c20-16(19-13-4-2-1-3-11(13)10-17-19)18-12-5-6-14-15(9-12)22-8-7-21-14/h1-6,9-10H,7-8H2,(H,18,20)
InChIKeyUVRUQIBBMWOSQC-UHFFFAOYSA-N
XLogP2.89
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)indazole-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)indazole-1-carboxamide (CID 53006433) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)indazole-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)indazole-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)indazole-1-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)n1ncc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)indazole-1-carboxamide?
The InChIKey is UVRUQIBBMWOSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-16(19-13-4-2-1-3-11(13)10-17-19)18-12-5-6-14-15(9-12)22-8-7-21-14/h1-6,9-10H,7-8H2,(H,18,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)indazole-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)indazole-1-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)indazole-1-carboxamide is sourced from PubChem (CID 53006433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).