4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide

C21H31N3O4 — CID 164547060

IUPAC4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide
SMILESCCCCCN1CCC(NC(=O)c2cc3c(OC)c(OC)c(OC)cc3[nH]2)C1
InChIInChI=1S/C21H31N3O4/c1-5-6-7-9-24-10-8-14(13-24)22-21(25)17-11-15-16(23-17)12-18(26-2)20(28-4)19(15)27-3/h11-12,14,23H,5-10,13H2,1-4H3,(H,22,25)
InChIKeyLLLJQWKSXVNRHZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.19
Rot. Bonds9

About 4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide

4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide (PubChem CID 164547060) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide
PubChem CID164547060
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide
SMILESCCCCCN1CCC(NC(=O)c2cc3c(OC)c(OC)c(OC)cc3[nH]2)C1
InChIInChI=1S/C21H31N3O4/c1-5-6-7-9-24-10-8-14(13-24)22-21(25)17-11-15-16(23-17)12-18(26-2)20(28-4)19(15)27-3/h11-12,14,23H,5-10,13H2,1-4H3,(H,22,25)
InChIKeyLLLJQWKSXVNRHZ-UHFFFAOYSA-N
XLogP3.19
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 164546960
N-[3-(dimethylamino)propyl]-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 4911389
N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride
CID 67615347
N-(1-adamantyl)-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 4898756
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2,4-dimethoxyphenyl)-1H-indole-2-carboxamide
CID 59600225
N-(1-butylpiperidin-4-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103763066
3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45205527
3-amino-N-(1-propylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 64525063
butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559323
N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 59600252
N-(1-benzylpiperidin-4-yl)-5-butyl-2,3-dimethoxybenzamide
CID 15167722
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4,5,6-trimethoxy-1H-indole-2-carboxamide
CID 6878850

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of 4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide (CID 164547060) is 4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide is CCCCCN1CCC(NC(=O)c2cc3c(OC)c(OC)c(OC)cc3[nH]2)C1.
What is the InChIKey of 4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide?
The InChIKey is LLLJQWKSXVNRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-5-6-7-9-24-10-8-14(13-24)22-21(25)17-11-15-16(23-17)12-18(26-2)20(28-4)19(15)27-3/h11-12,14,23H,5-10,13H2,1-4H3,(H,22,25).
What are the key properties of 4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide?
4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 164547060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).