6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide

C25H31N3O2 — CID 164546960

IUPAC6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESCCCCCN1CC[C@H](NC(=O)c2cc3ccc(-c4ccc(OC)cc4)cc3[nH]2)C1
InChIInChI=1S/C25H31N3O2/c1-3-4-5-13-28-14-12-21(17-28)26-25(29)24-16-20-7-6-19(15-23(20)27-24)18-8-10-22(30-2)11-9-18/h6-11,15-16,21,27H,3-5,12-14,17H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyPZTOOQUKBZEHTM-NRFANRHFSA-N
MW405.54 g/mol
LogP4.84
Rot. Bonds8

About 6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide

6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide (PubChem CID 164546960) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide
PubChem CID164546960
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide
SMILESCCCCCN1CC[C@H](NC(=O)c2cc3ccc(-c4ccc(OC)cc4)cc3[nH]2)C1
InChIInChI=1S/C25H31N3O2/c1-3-4-5-13-28-14-12-21(17-28)26-25(29)24-16-20-7-6-19(15-23(20)27-24)18-8-10-22(30-2)11-9-18/h6-11,15-16,21,27H,3-5,12-14,17H2,1-2H3,(H,26,29)/t21-/m0/s1
InChIKeyPZTOOQUKBZEHTM-NRFANRHFSA-N
XLogP4.84
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5,6-trimethoxy-N-(1-pentylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 164547060
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-6-methoxy-1H-indole-2-carboxamide
CID 139008147
N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 59600252
N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 61344606
4-(4-ethoxyphenyl)-1H-indole-2-carboxylic acid;N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 158308065
N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide
CID 97040111
N-[3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide
CID 71785787
N-[(1R,3R,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-6-methoxy-1H-indole-2-carboxamide
CID 97040108
N-[1-(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)piperidin-4-yl]-6-methoxy-1H-indole-2-carboxamide
CID 167997146
(3R)-3-[(6-bromo-1H-indole-2-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 122590915
N-[(4aR,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-6-methoxy-1H-indole-2-carboxamide
CID 124875145
N-(1-methylpyrrolidin-3-yl)-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-1H-indole-2-carboxamide
CID 137379422

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide (CID 164546960) is 6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide is CCCCCN1CC[C@H](NC(=O)c2cc3ccc(-c4ccc(OC)cc4)cc3[nH]2)C1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide?
The InChIKey is PZTOOQUKBZEHTM-NRFANRHFSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-3-4-5-13-28-14-12-21(17-28)26-25(29)24-16-20-7-6-19(15-23(20)27-24)18-8-10-22(30-2)11-9-18/h6-11,15-16,21,27H,3-5,12-14,17H2,1-2H3,(H,26,29)/t21-/m0/s1.
What are the key properties of 6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide?
6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-[(3S)-1-pentylpyrrolidin-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 164546960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).