N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide

C12H15N3O — CID 141008182

IUPACN-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cn(C)c2cccnc12
InChIInChI=1S/C12H15N3O/c1-9(16)13-7-5-10-8-15(2)11-4-3-6-14-12(10)11/h3-4,6,8H,5,7H2,1-2H3,(H,13,16)
InChIKeyKMXGLFDOBFCASC-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.25
Rot. Bonds3

About N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide

N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide (PubChem CID 141008182) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide
PubChem CID141008182
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide
SMILESCC(=O)NCCc1cn(C)c2cccnc12
InChIInChI=1S/C12H15N3O/c1-9(16)13-7-5-10-8-15(2)11-4-3-6-14-12(10)11/h3-4,6,8H,5,7H2,1-2H3,(H,13,16)
InChIKeyKMXGLFDOBFCASC-UHFFFAOYSA-N
XLogP1.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide (CID 141008182) is N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide is CC(=O)NCCc1cn(C)c2cccnc12.
What is the InChIKey of N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide?
The InChIKey is KMXGLFDOBFCASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(16)13-7-5-10-8-15(2)11-4-3-6-14-12(10)11/h3-4,6,8H,5,7H2,1-2H3,(H,13,16).
What are the key properties of N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide?
N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide has a molecular weight of 217.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 141008182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).