N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide

C18H15N3O2 — CID 113204938

IUPACN-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)Nc3ccc(C#N)cc3)c(C)c2c1
InChIInChI=1S/C18H15N3O2/c1-11-15-9-14(23-2)7-8-16(15)21-17(11)18(22)20-13-5-3-12(10-19)4-6-13/h3-9,21H,1-2H3,(H,20,22)
InChIKeyCVQVXPMASFRTTL-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.61
Rot. Bonds3

About N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide

N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide (PubChem CID 113204938) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
PubChem CID113204938
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)Nc3ccc(C#N)cc3)c(C)c2c1
InChIInChI=1S/C18H15N3O2/c1-11-15-9-14(23-2)7-8-16(15)21-17(11)18(22)20-13-5-3-12(10-19)4-6-13/h3-9,21H,1-2H3,(H,20,22)
InChIKeyCVQVXPMASFRTTL-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

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204869
N-(3-chloro-4-methoxyphenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204882
6-methoxy-3-methyl-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113205504
methyl 2-[(5-methoxy-3-methyl-1H-indole-2-carbonyl)amino]benzoate
CID 113204904
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
5-methoxy-3-methyl-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-2-carboxamide
CID 46978665
5-methoxy-3-methyl-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 113204847
N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide
CID 110864886
N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide
CID 8009162
N-(3-acetylphenyl)-6-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113205511
2-N-(4-cyanophenyl)-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100968
5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide
CID 113204658

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide (CID 113204938) is N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)Nc3ccc(C#N)cc3)c(C)c2c1.
What is the InChIKey of N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The InChIKey is CVQVXPMASFRTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-11-15-9-14(23-2)7-8-16(15)21-17(11)18(22)20-13-5-3-12(10-19)4-6-13/h3-9,21H,1-2H3,(H,20,22).
What are the key properties of N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide?
N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-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-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113204938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).