N-(1,3-benzodioxol-5-yl)-6-methylindazole-1-carboxamide

C16H13N3O3 — CID 53033869

IUPACN-(1,3-benzodioxol-5-yl)-6-methylindazole-1-carboxamide
SMILESCc1ccc2cnn(C(=O)Nc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C16H13N3O3/c1-10-2-3-11-8-17-19(13(11)6-10)16(20)18-12-4-5-14-15(7-12)22-9-21-14/h2-8H,9H2,1H3,(H,18,20)
InChIKeyOYIXLODXPKSQLE-UHFFFAOYSA-N
MW295.30 g/mol
LogP3.15
Rot. Bonds1

About N-(1,3-benzodioxol-5-yl)-6-methylindazole-1-carboxamide

N-(1,3-benzodioxol-5-yl)-6-methylindazole-1-carboxamide (PubChem CID 53033869) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-methylindazole-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-methylindazole-1-carboxamide
PubChem CID53033869
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-methylindazole-1-carboxamide
SMILESCc1ccc2cnn(C(=O)Nc3ccc4c(c3)OCO4)c2c1
InChIInChI=1S/C16H13N3O3/c1-10-2-3-11-8-17-19(13(11)6-10)16(20)18-12-4-5-14-15(7-12)22-9-21-14/h2-8H,9H2,1H3,(H,18,20)
InChIKeyOYIXLODXPKSQLE-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-methylindazole-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-methylindazole-1-carboxamide (CID 53033869) is N-(1,3-benzodioxol-5-yl)-6-methylindazole-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-methylindazole-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-methylindazole-1-carboxamide is Cc1ccc2cnn(C(=O)Nc3ccc4c(c3)OCO4)c2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-methylindazole-1-carboxamide?
The InChIKey is OYIXLODXPKSQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-10-2-3-11-8-17-19(13(11)6-10)16(20)18-12-4-5-14-15(7-12)22-9-21-14/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-methylindazole-1-carboxamide?
N-(1,3-benzodioxol-5-yl)-6-methylindazole-1-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-methylindazole-1-carboxamide is sourced from PubChem (CID 53033869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).