5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide

C21H24N4O3 — CID 166629751

IUPAC5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(OC)ccc3[nH]2)cc1
InChIInChI=1S/C21H24N4O3/c1-3-10-23-25-20(26)15-6-4-14(5-7-15)13-22-21(27)19-12-16-11-17(28-2)8-9-18(16)24-19/h4-9,11-12,23-24H,3,10,13H2,1-2H3,(H,22,27)(H,25,26)
InChIKeyFAOLANZJIDREED-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.75
Rot. Bonds8

About 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide

5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 166629751) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID166629751
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(OC)ccc3[nH]2)cc1
InChIInChI=1S/C21H24N4O3/c1-3-10-23-25-20(26)15-6-4-14(5-7-15)13-22-21(27)19-12-16-11-17(28-2)8-9-18(16)24-19/h4-9,11-12,23-24H,3,10,13H2,1-2H3,(H,22,27)(H,25,26)
InChIKeyFAOLANZJIDREED-UHFFFAOYSA-N
XLogP2.75
TPSA95.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-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

Asp-9521
CID 25210792
2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one
CID 87372
Piperazine, 1-((5-methoxyindol-2-yl)carbonyl)-4-methyl-
CID 206876
5-Methoxyluzindole
CID 129776
2-Phenylmelatonin
CID 4018512
N-(1-Isopropylpiperidin-4-YL)-1-(3-methoxybenzyl)-1H-indole-2-carboxamide
CID 6540267
D-64131
CID 3921152
3-{5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl}-1,2-dihydroquinolin-2-one
CID 5329373
Bis(1H-2-indolyl)methanone 11
CID 5330527
Bis(1H-2-indolyl)methanone 45
CID 5330541
5-(benzyloxy)-N,1-bis[(3-carbamimidoylphenyl)methyl]-1H-indole-2-carboxamide
CID 10907552
N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]cyclopropanecarboxamide
CID 10042516

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide (CID 166629751) is 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide is CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(OC)ccc3[nH]2)cc1.
What is the InChIKey of 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is FAOLANZJIDREED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-10-23-25-20(26)15-6-4-14(5-7-15)13-22-21(27)19-12-16-11-17(28-2)8-9-18(16)24-19/h4-9,11-12,23-24H,3,10,13H2,1-2H3,(H,22,27)(H,25,26).
What are the key properties of 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.75, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166629751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).