N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide

C12H15N3O2 — CID 52918077

IUPACN-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1C=CC2=C1N=C(C=C2)OC
InChIInChI=1S/C12H15N3O2/c1-9(16)13-6-8-15-7-5-10-3-4-11(17-2)14-12(10)15/h3-5,7H,6,8H2,1-2H3,(H,13,16)
InChIKeyGPYJQMJXDIABBK-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.80
Rot. Bonds4

About N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide

N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide (PubChem CID 52918077) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide
PubChem CID52918077
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1C=CC2=C1N=C(C=C2)OC
InChIInChI=1S/C12H15N3O2/c1-9(16)13-6-8-15-7-5-10-3-4-11(17-2)14-12(10)15/h3-5,7H,6,8H2,1-2H3,(H,13,16)
InChIKeyGPYJQMJXDIABBK-UHFFFAOYSA-N
XLogP0.80
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity272

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(4-methoxyphenyl)methyl]propanamide
CID 16009052
N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)propionamide
CID 52918078
N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)butyramide
CID 52918079
N-[2-(2-methoxy-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)ethyl]acetamide
CID 52918080
N-[2-(5-methoxy-1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
CID 9837777
2-Butylamino-8-hydroxy-9-(6-methoxy-3-pyridylmethyl)adenine
CID 11695850
N-(2-(6-Methoxy-2-phenylimidazo[1,2-a]pyridin-3-yl)ethyl)acetamide
CID 11702296
7-Azamelatonin
CID 19703063
N-[6-(6-amino-5-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251709
N-[6-(6-amino-5-ethoxy-3-pyridinyl)imidazo[1,2-a]pyridin-2-yl]acetamide
CID 59251796
6-methoxy-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 77106234
1-[(3S)-3-[[8-(6-methoxy-3-pyridinyl)-9-methylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168833

Frequently Asked Questions

What is the IUPAC name of N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide?
The IUPAC name of N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide (CID 52918077) is N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]acetamide.
What is the SMILES notation for N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide?
The canonical SMILES for N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide is CC(=O)NCCN1C=CC2=C1N=C(C=C2)OC.
What is the InChIKey of N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide?
The InChIKey is GPYJQMJXDIABBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(16)13-6-8-15-7-5-10-3-4-11(17-2)14-12(10)15/h3-5,7H,6,8H2,1-2H3,(H,13,16).
What are the key properties of N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide?
N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide has a molecular weight of 233.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide is sourced from PubChem (CID 52918077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).