5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide

C17H16N2O3 — CID 113206946

IUPAC5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)Nc3ccccc3)c2cc1OC
InChIInChI=1S/C17H16N2O3/c1-21-15-8-12-13(10-18-14(12)9-16(15)22-2)17(20)19-11-6-4-3-5-7-11/h3-10,18H,1-2H3,(H,19,20)
InChIKeyVOHYNEJKPVLYES-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.44
Rot. Bonds4

About 5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide

5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide (PubChem CID 113206946) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
PubChem CID113206946
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)Nc3ccccc3)c2cc1OC
InChIInChI=1S/C17H16N2O3/c1-21-15-8-12-13(10-18-14(12)9-16(15)22-2)17(20)19-11-6-4-3-5-7-11/h3-10,18H,1-2H3,(H,19,20)
InChIKeyVOHYNEJKPVLYES-UHFFFAOYSA-N
XLogP3.44
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113207001
5,6-dimethoxy-N-(3-methoxyphenyl)-1H-indole-3-carboxamide
CID 113206986
5,6-dimethoxy-N-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206992
5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206991
N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113207048
N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206966
(Z)-2-(5,6-dimethoxy-1H-indol-3-yl)-3-(1H-indol-3-yl)but-2-enedioic acid
CID 22410568
5-amino-N-phenyl-1H-indole-3-carboxamide
CID 63116510
5,6-dimethoxy-N-phenyl-1H-indazole-3-carboxamide
CID 154174808
N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206859
6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride
CID 71938706
5-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113206118

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide?
The IUPAC name of 5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide (CID 113206946) is 5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide?
The canonical SMILES for 5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide is COc1cc2[nH]cc(C(=O)Nc3ccccc3)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide?
The InChIKey is VOHYNEJKPVLYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-15-8-12-13(10-18-14(12)9-16(15)22-2)17(20)19-11-6-4-3-5-7-11/h3-10,18H,1-2H3,(H,19,20).
What are the key properties of 5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide?
5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide is sourced from PubChem (CID 113206946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).