N-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide

C16H17N3O2S — CID 46955814

IUPACN-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide
SMILESCOCCNC(=O)Cn1ccc2ccnc(-c3cccs3)c21
InChIInChI=1S/C16H17N3O2S/c1-21-9-7-17-14(20)11-19-8-5-12-4-6-18-15(16(12)19)13-3-2-10-22-13/h2-6,8,10H,7,9,11H2,1H3,(H,17,20)
InChIKeyGZRJLXUZKVQRSP-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.53
Rot. Bonds6

About N-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide

N-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide (PubChem CID 46955814) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide
PubChem CID46955814
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide
SMILESCOCCNC(=O)Cn1ccc2ccnc(-c3cccs3)c21
InChIInChI=1S/C16H17N3O2S/c1-21-9-7-17-14(20)11-19-8-5-12-4-6-18-15(16(12)19)13-3-2-10-22-13/h2-6,8,10H,7,9,11H2,1H3,(H,17,20)
InChIKeyGZRJLXUZKVQRSP-UHFFFAOYSA-N
XLogP2.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide (CID 46955814) is N-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide is COCCNC(=O)Cn1ccc2ccnc(-c3cccs3)c21.
What is the InChIKey of N-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide?
The InChIKey is GZRJLXUZKVQRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-21-9-7-17-14(20)11-19-8-5-12-4-6-18-15(16(12)19)13-3-2-10-22-13/h2-6,8,10H,7,9,11H2,1H3,(H,17,20).
What are the key properties of N-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide?
N-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide has a molecular weight of 315.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(7-thiophen-2-ylpyrrolo[2,3-c]pyridin-1-yl)acetamide is sourced from PubChem (CID 46955814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).