5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide

C21H26N4O — CID 109237687

IUPAC5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cncc(NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H26N4O/c1-2-3-6-10-24-21(26)17-12-18(15-22-13-17)23-11-9-16-14-25-20-8-5-4-7-19(16)20/h4-5,7-8,12-15,23,25H,2-3,6,9-11H2,1H3,(H,24,26)
InChIKeyRCQVCWVFLIQACJ-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.14
Rot. Bonds9

About 5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide

5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide (PubChem CID 109237687) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide
PubChem CID109237687
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cncc(NCCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C21H26N4O/c1-2-3-6-10-24-21(26)17-12-18(15-22-13-17)23-11-9-16-14-25-20-8-5-4-7-19(16)20/h4-5,7-8,12-15,23,25H,2-3,6,9-11H2,1H3,(H,24,26)
InChIKeyRCQVCWVFLIQACJ-UHFFFAOYSA-N
XLogP4.14
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(1H-indol-3-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227676
N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228227
5-[2-(1H-indol-3-yl)ethylamino]-N,N-dipropylpyridine-3-carboxamide
CID 109237691
5-[2-(1H-indol-3-yl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237696
N-cyclopropyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109223605
N-(4-fluorophenyl)-5-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109237714
5-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109237657
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088487
N-[2-(1H-indol-3-yl)ethyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109237659
5-N-benzyl-3-N-[2-(1H-indol-3-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109104994
[5-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225545
N-[3-(1H-indol-3-yl)propyl]pyrimidine-5-carboxamide
CID 167952935

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide?
The IUPAC name of 5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide (CID 109237687) is 5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide?
The canonical SMILES for 5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide is CCCCCNC(=O)c1cncc(NCCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide?
The InChIKey is RCQVCWVFLIQACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-2-3-6-10-24-21(26)17-12-18(15-22-13-17)23-11-9-16-14-25-20-8-5-4-7-19(16)20/h4-5,7-8,12-15,23,25H,2-3,6,9-11H2,1H3,(H,24,26).
What are the key properties of 5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide?
5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 4.14, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-indol-3-yl)ethylamino]-N-pentylpyridine-3-carboxamide is sourced from PubChem (CID 109237687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).