2-ethoxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide

C11H13N3O2 — CID 121267961

IUPAC2-ethoxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCOc1cc2cc(C(N)=O)cnc2n1C
InChIInChI=1S/C11H13N3O2/c1-3-16-9-5-7-4-8(10(12)15)6-13-11(7)14(9)2/h4-6H,3H2,1-2H3,(H2,12,15)
InChIKeyQNTYPSUJFPGYQF-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.07
Rot. Bonds3

About 2-ethoxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide

2-ethoxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 121267961) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-ethoxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-ethoxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID121267961
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-ethoxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCCOc1cc2cc(C(N)=O)cnc2n1C
InChIInChI=1S/C11H13N3O2/c1-3-16-9-5-7-4-8(10(12)15)6-13-11(7)14(9)2/h4-6H,3H2,1-2H3,(H2,12,15)
InChIKeyQNTYPSUJFPGYQF-UHFFFAOYSA-N
XLogP1.07
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 2-ethoxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide (CID 121267961) is 2-ethoxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-ethoxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 2-ethoxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide is CCOc1cc2cc(C(N)=O)cnc2n1C.
What is the InChIKey of 2-ethoxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is QNTYPSUJFPGYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-16-9-5-7-4-8(10(12)15)6-13-11(7)14(9)2/h4-6H,3H2,1-2H3,(H2,12,15).
What are the key properties of 2-ethoxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide?
2-ethoxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 121267961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).