2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide

C21H17N3O — CID 90919532

IUPAC2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide
SMILESNC(=O)Cc1cccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c1
InChIInChI=1S/C21H17N3O/c22-20(25)10-14-5-4-8-16(9-14)19-13-24-21-18(19)11-17(12-23-21)15-6-2-1-3-7-15/h1-9,11-13H,10H2,(H2,22,25)(H,23,24)
InChIKeyYBGZGJCSHRDLEF-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.92
Rot. Bonds4

About 2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide

2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide (PubChem CID 90919532) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide
PubChem CID90919532
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide
SMILESNC(=O)Cc1cccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c1
InChIInChI=1S/C21H17N3O/c22-20(25)10-14-5-4-8-16(9-14)19-13-24-21-18(19)11-17(12-23-21)15-6-2-1-3-7-15/h1-9,11-13H,10H2,(H2,22,25)(H,23,24)
InChIKeyYBGZGJCSHRDLEF-UHFFFAOYSA-N
XLogP3.92
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide?
The IUPAC name of 2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide (CID 90919532) is 2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide is NC(=O)Cc1cccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)c1.
What is the InChIKey of 2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide?
The InChIKey is YBGZGJCSHRDLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c22-20(25)10-14-5-4-8-16(9-14)19-13-24-21-18(19)11-17(12-23-21)15-6-2-1-3-7-15/h1-9,11-13H,10H2,(H2,22,25)(H,23,24).
What are the key properties of 2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide?
2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]acetamide is sourced from PubChem (CID 90919532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).