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

C17H13N3O2 — CID 110864886

IUPACN-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)Nc3ccc(C#N)cc3)cc12
InChIInChI=1S/C17H13N3O2/c1-22-16-4-2-3-14-13(16)9-15(20-14)17(21)19-12-7-5-11(10-18)6-8-12/h2-9,20H,1H3,(H,19,21)
InChIKeyDONWJPFPRWXNHO-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.30
Rot. Bonds3

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

N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide (PubChem CID 110864886) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide
PubChem CID110864886
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)Nc3ccc(C#N)cc3)cc12
InChIInChI=1S/C17H13N3O2/c1-22-16-4-2-3-14-13(16)9-15(20-14)17(21)19-12-7-5-11(10-18)6-8-12/h2-9,20H,1H3,(H,19,21)
InChIKeyDONWJPFPRWXNHO-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

Analyze N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 26699443
N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide
CID 110864757
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
N-(3-cyanophenyl)-7-methoxy-1H-indole-2-carboxamide
CID 110864739
N-(4-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726945
N-(5-acetamido-2-methoxyphenyl)-4-fluoro-1H-indole-2-carboxamide
CID 36800098
N-(4-cyanophenyl)-3,5-dimethoxy-4-methylbenzamide
CID 8009162
N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
CID 108519400
N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 80968208
N-(1-aminopropan-2-yl)-4-methoxy-1H-indole-2-carboxamide
CID 110833457
N-(4-cyanophenyl)-5-methoxy-3-methyl-1H-indole-2-carboxamide
CID 113204938
6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 113207612

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide (CID 110864886) is N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)Nc3ccc(C#N)cc3)cc12.
What is the InChIKey of N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide?
The InChIKey is DONWJPFPRWXNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-22-16-4-2-3-14-13(16)9-15(20-14)17(21)19-12-7-5-11(10-18)6-8-12/h2-9,20H,1H3,(H,19,21).
What are the key properties of N-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide?
N-(4-cyanophenyl)-4-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-(4-cyanophenyl)-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 110864886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).