N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide

C18H15N3O2 — CID 110864775

IUPACN-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3cccc(C#N)c3)c(C)[nH]c12
InChIInChI=1S/C18H15N3O2/c1-11-16(14-7-4-8-15(23-2)17(14)20-11)18(22)21-13-6-3-5-12(9-13)10-19/h3-9,20H,1-2H3,(H,21,22)
InChIKeyKRUMTIGTFLCZCH-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.61
Rot. Bonds3

About N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide

N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide (PubChem CID 110864775) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide
PubChem CID110864775
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide
SMILESCOc1cccc2c(C(=O)Nc3cccc(C#N)c3)c(C)[nH]c12
InChIInChI=1S/C18H15N3O2/c1-11-16(14-7-4-8-15(23-2)17(14)20-11)18(22)21-13-6-3-5-12(9-13)10-19/h3-9,20H,1-2H3,(H,21,22)
InChIKeyKRUMTIGTFLCZCH-UHFFFAOYSA-N
XLogP3.61
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-(3-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859939
N-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide
CID 110864739
N-(3-cyanophenyl)-2-hydroxy-3-methoxybenzamide
CID 24706951
N-(3-cyanophenyl)-2,4-dimethyl-1H-indole-3-carboxamide
CID 110864766
4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide
CID 9083182
7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
N-(3-cyanophenyl)-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136669999
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
N-(3-cyanophenyl)-5-methyl-1H-imidazole-4-carboxamide
CID 110684044
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
3-(4-cyano-2-methoxyphenoxy)-N-(3-cyanophenyl)-5-methyl-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167197611

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide (CID 110864775) is N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide is COc1cccc2c(C(=O)Nc3cccc(C#N)c3)c(C)[nH]c12.
What is the InChIKey of N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide?
The InChIKey is KRUMTIGTFLCZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-11-16(14-7-4-8-15(23-2)17(14)20-11)18(22)21-13-6-3-5-12(9-13)10-19/h3-9,20H,1-2H3,(H,21,22).
What are the key properties of N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide?
N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110864775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).