N-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C16H13N3O3 — CID 17167016

IUPACN-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H13N3O3/c20-16(10-1-4-14-15(8-10)22-6-5-21-14)18-12-2-3-13-11(7-12)9-17-19-13/h1-4,7-9H,5-6H2,(H,17,19)(H,18,20)
InChIKeySUISJVXOLCYINB-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.59
Rot. Bonds2

About N-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 17167016) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID17167016
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H13N3O3/c20-16(10-1-4-14-15(8-10)22-6-5-21-14)18-12-2-3-13-11(7-12)9-17-19-13/h1-4,7-9H,5-6H2,(H,17,19)(H,18,20)
InChIKeySUISJVXOLCYINB-UHFFFAOYSA-N
XLogP2.59
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 17167016) is N-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1ccc2[nH]ncc2c1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is SUISJVXOLCYINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-16(10-1-4-14-15(8-10)22-6-5-21-14)18-12-2-3-13-11(7-12)9-17-19-13/h1-4,7-9H,5-6H2,(H,17,19)(H,18,20).
What are the key properties of N-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 17167016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).