2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide

C17H17N3O3 — CID 154835907

IUPAC2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cc2[nH]ncc2cc1C
InChIInChI=1S/C17H17N3O3/c1-10-7-11-9-18-20-13(11)8-12(10)19-17(21)16-14(22-2)5-4-6-15(16)23-3/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyZBVZTPOTNHPUBV-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.14
Rot. Bonds4

About 2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide

2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide (PubChem CID 154835907) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide
PubChem CID154835907
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cc2[nH]ncc2cc1C
InChIInChI=1S/C17H17N3O3/c1-10-7-11-9-18-20-13(11)8-12(10)19-17(21)16-14(22-2)5-4-6-15(16)23-3/h4-9H,1-3H3,(H,18,20)(H,19,21)
InChIKeyZBVZTPOTNHPUBV-UHFFFAOYSA-N
XLogP3.14
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indazol-6-yl)-2,6-dimethoxybenzamide
CID 110731190
N-(4-iodo-2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2204890
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934
3-amino-N-(5-methyl-1H-indazol-6-yl)propanamide;hydrochloride
CID 119317530
3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
CID 769955
N-(4,6-dimethylthieno[2,3-b]pyridin-3-yl)-2,6-dimethoxybenzamide
CID 110443954
(2R)-2-(3-chlorophenoxy)-N-(5-methyl-1H-indazol-6-yl)propanamide
CID 95290852
methyl 6-methoxy-1H-indazole-5-carboxylate
CID 131750256
methyl 5-methoxy-1H-indazole-6-carboxylate
CID 76846397
2-hydroxyimino-N-(5-methyl-1H-indazol-6-yl)acetamide
CID 173074715
2,6-difluoro-N-[5-(5-methyl-1H-indazol-6-yl)-2-pyridinyl]benzamide
CID 58487264
2-methoxy-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
CID 104620167

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide (CID 154835907) is 2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide is COc1cccc(OC)c1C(=O)Nc1cc2[nH]ncc2cc1C.
What is the InChIKey of 2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide?
The InChIKey is ZBVZTPOTNHPUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-7-11-9-18-20-13(11)8-12(10)19-17(21)16-14(22-2)5-4-6-15(16)23-3/h4-9H,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide?
2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide has a molecular weight of 311.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide is sourced from PubChem (CID 154835907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).