3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide

C17H16N2O — CID 113204253

IUPAC3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
SMILESCc1cccc(NC(=O)c2[nH]c3ccccc3c2C)c1
InChIInChI=1S/C17H16N2O/c1-11-6-5-7-13(10-11)18-17(20)16-12(2)14-8-3-4-9-15(14)19-16/h3-10,19H,1-2H3,(H,18,20)
InChIKeyBEJRDTHUMREAIC-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.04
Rot. Bonds2

About 3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide

3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide (PubChem CID 113204253) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
PubChem CID113204253
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
SMILESCc1cccc(NC(=O)c2[nH]c3ccccc3c2C)c1
InChIInChI=1S/C17H16N2O/c1-11-6-5-7-13(10-11)18-17(20)16-12(2)14-8-3-4-9-15(14)19-16/h3-10,19H,1-2H3,(H,18,20)
InChIKeyBEJRDTHUMREAIC-UHFFFAOYSA-N
XLogP4.04
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 110861099
N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204258
N-(3-acetylphenyl)-3,6-dimethyl-1H-indole-2-carboxamide
CID 113205056
3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 113204204
N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204265
N-(3-acetamidophenyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204770
N-(3-methylphenyl)-2-oxo-1H-quinoline-5-carboxamide
CID 166776296
3,5-dimethyl-N-pyridin-3-yl-1H-indole-2-carboxamide
CID 84579294
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578341
2-hydroxy-N-(3-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 14008608
N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113205511

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide (CID 113204253) is 3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide is Cc1cccc(NC(=O)c2[nH]c3ccccc3c2C)c1.
What is the InChIKey of 3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide?
The InChIKey is BEJRDTHUMREAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-6-5-7-13(10-11)18-17(20)16-12(2)14-8-3-4-9-15(14)19-16/h3-10,19H,1-2H3,(H,18,20).
What are the key properties of 3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide?
3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113204253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).