N-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide

C12H15N3O2 — CID 141167511

IUPACN-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCOCCN(C)C(=O)C1=CN=C2N=CC=C2C1
InChIInChI=1S/C12H15N3O2/c1-15(5-6-17-2)12(16)10-7-9-3-4-13-11(9)14-8-10/h3-4,8H,5-7H2,1-2H3
InChIKeyDUEPARJOTGLSDL-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.79
Rot. Bonds4

About N-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 141167511) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID141167511
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCOCCN(C)C(=O)C1=CN=C2N=CC=C2C1
InChIInChI=1S/C12H15N3O2/c1-15(5-6-17-2)12(16)10-7-9-3-4-13-11(9)14-8-10/h3-4,8H,5-7H2,1-2H3
InChIKeyDUEPARJOTGLSDL-UHFFFAOYSA-N
XLogP0.79
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-4H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 141297998

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 141167511) is N-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide is COCCN(C)C(=O)C1=CN=C2N=CC=C2C1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is DUEPARJOTGLSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15(5-6-17-2)12(16)10-7-9-3-4-13-11(9)14-8-10/h3-4,8H,5-7H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-4H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 141167511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).