2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide

C19H26N4O2 — CID 46222156

IUPAC2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCC(C)n1cc(C(=O)C(=O)NCCN2CCCCC2)c2cccnc21
InChIInChI=1S/C19H26N4O2/c1-14(2)23-13-16(15-7-6-8-20-18(15)23)17(24)19(25)21-9-12-22-10-4-3-5-11-22/h6-8,13-14H,3-5,9-12H2,1-2H3,(H,21,25)
InChIKeyOHPICPXTBCIUGY-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.40
Rot. Bonds6

About 2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide

2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 46222156) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID46222156
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCC(C)n1cc(C(=O)C(=O)NCCN2CCCCC2)c2cccnc21
InChIInChI=1S/C19H26N4O2/c1-14(2)23-13-16(15-7-6-8-20-18(15)23)17(24)19(25)21-9-12-22-10-4-3-5-11-22/h6-8,13-14H,3-5,9-12H2,1-2H3,(H,21,25)
InChIKeyOHPICPXTBCIUGY-UHFFFAOYSA-N
XLogP2.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of 2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 46222156) is 2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for 2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide is CC(C)n1cc(C(=O)C(=O)NCCN2CCCCC2)c2cccnc21.
What is the InChIKey of 2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is OHPICPXTBCIUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)23-13-16(15-7-6-8-20-18(15)23)17(24)19(25)21-9-12-22-10-4-3-5-11-22/h6-8,13-14H,3-5,9-12H2,1-2H3,(H,21,25).
What are the key properties of 2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide?
2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-piperidin-1-ylethyl)-2-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 46222156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).