4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide

C17H19N3O3 — CID 121239710

IUPAC4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(OC)c2[nH]c(C(=O)NCCn3cccc3)cc12
InChIInChI=1S/C17H19N3O3/c1-22-14-5-6-15(23-2)16-12(14)11-13(19-16)17(21)18-7-10-20-8-3-4-9-20/h3-6,8-9,11,19H,7,10H2,1-2H3,(H,18,21)
InChIKeyPJVIXKLLIQWEQK-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.42
Rot. Bonds6

About 4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide

4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide (PubChem CID 121239710) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide
PubChem CID121239710
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide
SMILESCOc1ccc(OC)c2[nH]c(C(=O)NCCn3cccc3)cc12
InChIInChI=1S/C17H19N3O3/c1-22-14-5-6-15(23-2)16-12(14)11-13(19-16)17(21)18-7-10-20-8-3-4-9-20/h3-6,8-9,11,19H,7,10H2,1-2H3,(H,18,21)
InChIKeyPJVIXKLLIQWEQK-UHFFFAOYSA-N
XLogP2.42
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-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

3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716250
(2S)-2-[(4,7-dimethoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 51342241
N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-4,7-dimethoxy-1H-indole-2-carboxamide
CID 42581326
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,7-dimethoxy-1H-indole-2-carboxamide
CID 162960612
2-N,7-N-dibutyl-4,5-dimethoxy-1,8-dihydropyrrolo[3,2-g]indole-2,7-dicarboxamide
CID 102168751
5,6-dimethoxy-N-[2-(4-methoxyindol-1-yl)ethyl]-1H-indole-2-carboxamide
CID 71825514
2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 103722588
N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 46438107
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4,7-dimethoxy-1H-indole-2-carboxamide
CID 91637802
N-(3-butoxypropyl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39900401
N-[2-(4-chlorophenyl)sulfanylethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39943500
4,6,7-trimethoxy-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 39904436

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide?
The IUPAC name of 4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide (CID 121239710) is 4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for 4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide is COc1ccc(OC)c2[nH]c(C(=O)NCCn3cccc3)cc12.
What is the InChIKey of 4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide?
The InChIKey is PJVIXKLLIQWEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-14-5-6-15(23-2)16-12(14)11-13(19-16)17(21)18-7-10-20-8-3-4-9-20/h3-6,8-9,11,19H,7,10H2,1-2H3,(H,18,21).
What are the key properties of 4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide?
4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 121239710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).