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

C17H13N3O2 — CID 110864739

IUPACN-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(C#N)c3)[nH]c12
InChIInChI=1S/C17H13N3O2/c1-22-15-7-3-5-12-9-14(20-16(12)15)17(21)19-13-6-2-4-11(8-13)10-18/h2-9,20H,1H3,(H,19,21)
InChIKeyYBRHEYXGTKRVQA-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.30
Rot. Bonds3

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

N-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide (PubChem CID 110864739) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide
PubChem CID110864739
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(C#N)c3)[nH]c12
InChIInChI=1S/C17H13N3O2/c1-22-15-7-3-5-12-9-14(20-16(12)15)17(21)19-13-6-2-4-11(8-13)10-18/h2-9,20H,1H3,(H,19,21)
InChIKeyYBRHEYXGTKRVQA-UHFFFAOYSA-N
XLogP3.30
TPSA77.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-phenyl-1H-indole-2-carboxamide
CID 110856487
N-(3-cyanophenyl)-7-methoxy-2-methyl-1H-indole-3-carboxamide
CID 110864775
N-(3-cyanophenyl)-2-hydroxy-3-methoxybenzamide
CID 24706951
4-bromo-N-(3-cyanophenyl)-3,5-dimethoxybenzamide
CID 9083182
7-chloro-N-(3-chloro-4-methoxyphenyl)-1H-indole-2-carboxamide
CID 108791613
N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide
CID 110864886
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
N-(3-cyanophenyl)-4-(4-methylphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110332204
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide (CID 110864739) is N-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide is COc1cccc2cc(C(=O)Nc3cccc(C#N)c3)[nH]c12.
What is the InChIKey of N-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide?
The InChIKey is YBRHEYXGTKRVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-22-15-7-3-5-12-9-14(20-16(12)15)17(21)19-13-6-2-4-11(8-13)10-18/h2-9,20H,1H3,(H,19,21).
What are the key properties of N-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide?
N-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 3.30, 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-1H-indole-2-carboxamide is sourced from PubChem (CID 110864739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).