N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C17H15N3O3 — CID 110763744

IUPACN-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cc2c(cc1C(=O)Nc1ccc3cn[nH]c3c1)OCCO2
InChIInChI=1S/C17H15N3O3/c1-10-6-15-16(23-5-4-22-15)8-13(10)17(21)19-12-3-2-11-9-18-20-14(11)7-12/h2-3,6-9H,4-5H2,1H3,(H,18,20)(H,19,21)
InChIKeyNCNUQMDWBMGLJU-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.89
Rot. Bonds2

About N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 110763744) has the molecular formula C17H15N3O3 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID110763744
Molecular FormulaC17H15N3O3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC NameN-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1cc2c(cc1C(=O)Nc1ccc3cn[nH]c3c1)OCCO2
InChIInChI=1S/C17H15N3O3/c1-10-6-15-16(23-5-4-22-15)8-13(10)17(21)19-12-3-2-11-9-18-20-14(11)7-12/h2-3,6-9H,4-5H2,1H3,(H,18,20)(H,19,21)
InChIKeyNCNUQMDWBMGLJU-UHFFFAOYSA-N
XLogP2.89
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-6-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 110770216
4-fluoro-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 115745336
5-bromo-N-(1H-indazol-6-yl)-2-methylbenzamide
CID 65311641
4-bromo-N-(1H-indazol-6-yl)-3-methylbenzamide
CID 115769574
2-fluoro-N-(1H-indazol-6-yl)-5-methylbenzamide
CID 62512997
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760
N-[4-(dimethylamino)phenyl]-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 110763741
N-(1H-indazol-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684914
N-(1H-indazol-6-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789493
N-(1H-indazol-6-yl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692000
N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110698951
methyl 4-(1H-indazol-6-ylcarbamoyl)benzoate
CID 121088219

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 110763744) is N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1cc2c(cc1C(=O)Nc1ccc3cn[nH]c3c1)OCCO2.
What is the InChIKey of N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is NCNUQMDWBMGLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-10-6-15-16(23-5-4-22-15)8-13(10)17(21)19-12-3-2-11-9-18-20-14(11)7-12/h2-3,6-9H,4-5H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 110763744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).