5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide

C17H16N2O2 — CID 113206039

IUPAC5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)Nc3ccc(C)cc3)c2c1
InChIInChI=1S/C17H16N2O2/c1-11-3-5-12(6-4-11)19-17(20)15-10-18-16-8-7-13(21-2)9-14(15)16/h3-10,18H,1-2H3,(H,19,20)
InChIKeyJSAJANKRNRQPFY-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.74
Rot. Bonds3

About 5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide

5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide (PubChem CID 113206039) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide
PubChem CID113206039
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide
SMILESCOc1ccc2[nH]cc(C(=O)Nc3ccc(C)cc3)c2c1
InChIInChI=1S/C17H16N2O2/c1-11-3-5-12(6-4-11)19-17(20)15-10-18-16-8-7-13(21-2)9-14(15)16/h3-10,18H,1-2H3,(H,19,20)
InChIKeyJSAJANKRNRQPFY-UHFFFAOYSA-N
XLogP3.74
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-N-(4-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831865
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
ethyl 4-[(5-methoxy-1H-indole-3-carbonyl)amino]benzoate
CID 113206116
N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206042
N-(3,4-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206123
5-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113206118
N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206126
N-(2-bromo-4-methylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206110
N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831869
N-(2,3-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206047
6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206647
5,6-dimethoxy-N-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206992

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide (CID 113206039) is 5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide is COc1ccc2[nH]cc(C(=O)Nc3ccc(C)cc3)c2c1.
What is the InChIKey of 5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide?
The InChIKey is JSAJANKRNRQPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-3-5-12(6-4-11)19-17(20)15-10-18-16-8-7-13(21-2)9-14(15)16/h3-10,18H,1-2H3,(H,19,20).
What are the key properties of 5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide?
5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 113206039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).