N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

C18H17N3O2 — CID 146090278

IUPACN-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCc1ccc2c(c1)C(NC(=O)Cc1c[nH]c3ncccc13)CO2
InChIInChI=1S/C18H17N3O2/c1-11-4-5-16-14(7-11)15(10-23-16)21-17(22)8-12-9-20-18-13(12)3-2-6-19-18/h2-7,9,15H,8,10H2,1H3,(H,19,20)(H,21,22)
InChIKeyASFLTKLMZFZLGI-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.66
Rot. Bonds3

About N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide

N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (PubChem CID 146090278) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
PubChem CID146090278
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
SMILESCc1ccc2c(c1)C(NC(=O)Cc1c[nH]c3ncccc13)CO2
InChIInChI=1S/C18H17N3O2/c1-11-4-5-16-14(7-11)15(10-23-16)21-17(22)8-12-9-20-18-13(12)3-2-6-19-18/h2-7,9,15H,8,10H2,1H3,(H,19,20)(H,21,22)
InChIKeyASFLTKLMZFZLGI-UHFFFAOYSA-N
XLogP2.66
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The IUPAC name of N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide (CID 146090278) is N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is Cc1ccc2c(c1)C(NC(=O)Cc1c[nH]c3ncccc13)CO2.
What is the InChIKey of N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
The InChIKey is ASFLTKLMZFZLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-4-5-16-14(7-11)15(10-23-16)21-17(22)8-12-9-20-18-13(12)3-2-6-19-18/h2-7,9,15H,8,10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide?
N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 146090278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).