5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide

C15H20N4O3 — CID 11220436

IUPAC5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCOCCNC(=O)c1cn(C)c2ncc(NC(C)=O)cc12
InChIInChI=1S/C15H20N4O3/c1-4-22-6-5-16-15(21)13-9-19(3)14-12(13)7-11(8-17-14)18-10(2)20/h7-9H,4-6H2,1-3H3,(H,16,21)(H,18,20)
InChIKeyVQNAQCQFXGQSEA-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.30
Rot. Bonds6

About 5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide

5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 11220436) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID11220436
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCOCCNC(=O)c1cn(C)c2ncc(NC(C)=O)cc12
InChIInChI=1S/C15H20N4O3/c1-4-22-6-5-16-15(21)13-9-19(3)14-12(13)7-11(8-17-14)18-10(2)20/h7-9H,4-6H2,1-3H3,(H,16,21)(H,18,20)
InChIKeyVQNAQCQFXGQSEA-UHFFFAOYSA-N
XLogP1.30
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
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 5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 11220436) is 5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide is CCOCCNC(=O)c1cn(C)c2ncc(NC(C)=O)cc12.
What is the InChIKey of 5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is VQNAQCQFXGQSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-4-22-6-5-16-15(21)13-9-19(3)14-12(13)7-11(8-17-14)18-10(2)20/h7-9H,4-6H2,1-3H3,(H,16,21)(H,18,20).
What are the key properties of 5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 11220436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).