N-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide

C19H23N3O — CID 127254670

IUPACN-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide
SMILESCn1ccc2c(NC(=O)CCCCCn3cccc3)cccc21
InChIInChI=1S/C19H23N3O/c1-21-15-11-16-17(8-7-9-18(16)21)20-19(23)10-3-2-4-12-22-13-5-6-14-22/h5-9,11,13-15H,2-4,10,12H2,1H3,(H,20,23)
InChIKeyKNLJDGZZEWAKHX-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.18
Rot. Bonds7

About N-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide

N-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide (PubChem CID 127254670) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide.

Molecular Properties

Compound NameN-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide
PubChem CID127254670
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide
SMILESCn1ccc2c(NC(=O)CCCCCn3cccc3)cccc21
InChIInChI=1S/C19H23N3O/c1-21-15-11-16-17(8-7-9-18(16)21)20-19(23)10-3-2-4-12-22-13-5-6-14-22/h5-9,11,13-15H,2-4,10,12H2,1H3,(H,20,23)
InChIKeyKNLJDGZZEWAKHX-UHFFFAOYSA-N
XLogP4.18
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide 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

1-(3-imidazol-1-ylpropyl)-3-(1-methylindol-4-yl)urea
CID 56823902
N-(1H-benzimidazol-4-yl)-4-pyrrol-1-ylbutanamide
CID 71845450
N-naphthalen-1-yldodecanamide
CID 588517
N-(1-methylindol-4-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 52899779
3-[(6aS)-5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl]-N-(1-methylindol-4-yl)propanamide
CID 125428524
N-(4-methyl-2-oxo-1H-quinolin-7-yl)-6-pyrrol-1-ylhexanamide
CID 127254662
N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide
CID 22522913
N-(2-bromo-6-methoxyphenyl)-4-pyrrol-1-ylbutanamide
CID 122140386
N-(1-benzylindol-4-yl)-3-hydroxypropanamide
CID 176845425
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-(1-methylindol-4-yl)acetamide
CID 71827105
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide?
The IUPAC name of N-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide (CID 127254670) is N-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide.
What is the SMILES notation for N-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide?
The canonical SMILES for N-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide is Cn1ccc2c(NC(=O)CCCCCn3cccc3)cccc21.
What is the InChIKey of N-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide?
The InChIKey is KNLJDGZZEWAKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21-15-11-16-17(8-7-9-18(16)21)20-19(23)10-3-2-4-12-22-13-5-6-14-22/h5-9,11,13-15H,2-4,10,12H2,1H3,(H,20,23).
What are the key properties of N-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide?
N-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide has a molecular weight of 309.41 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindol-4-yl)-6-pyrrol-1-ylhexanamide is sourced from PubChem (CID 127254670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).