Tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate

Name: Tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₁N₃O₃ — CID 177047458

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACtert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate

SMILESCC(=O)Nc1cccc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)n1

InChIInChI=1S/C20H21N3O3/c1-13(24)21-18-11-7-9-15(22-18)17-12-14-8-5-6-10-16(14)23(17)19(25)26-20(2,3)4/h5-12H,1-4H3,(H,21,22,24)

InChIKeyQJAXRRLJMZLVBQ-UHFFFAOYSA-N

MW351.41 g/mol

LogP4.44

Rot. Bonds2

About Tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate

Tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate (PubChem CID 177047458) has the molecular formula C₂₀H₂₁N₃O₃ and a molecular weight of 351.41 g/mol. Its IUPAC name is tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate.

Molecular Properties

Compound Name	Tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate
PubChem CID	177047458
Molecular Formula	C₂₀H₂₁N₃O₃
Molecular Weight	351.41 g/mol
Exact Mass	351.16
IUPAC Name	tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate
SMILES	CC(=O)Nc1cccc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)n1
InChI	InChI=1S/C20H21N3O3/c1-13(24)21-18-11-7-9-15(22-18)17-12-14-8-5-6-10-16(14)23(17)19(25)26-20(2,3)4/h5-12H,1-4H3,(H,21,22,24)
InChIKey	QJAXRRLJMZLVBQ-UHFFFAOYSA-N
XLogP	4.44
TPSA	73.22 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate?

The IUPAC name of Tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate (CID 177047458) is tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate.

What is the SMILES notation for Tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate?

The canonical SMILES for Tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate is CC(=O)Nc1cccc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)n1.

What is the InChIKey of Tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate?

The InChIKey is QJAXRRLJMZLVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(24)21-18-11-7-9-15(22-18)17-12-14-8-5-6-10-16(14)23(17)19(25)26-20(2,3)4/h5-12H,1-4H3,(H,21,22,24).

What are the key properties of Tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate?

Tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate has a molecular weight of 351.41 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate is sourced from PubChem (CID 177047458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 177047458 — identifiers, structure, computed properties (public domain)

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