N-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

C12H16N2O3 — CID 51052402

IUPACN-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C12H16N2O3/c1-17-6-5-13-11(15)9-7-8-3-2-4-10(8)14-12(9)16/h7H,2-6H2,1H3,(H,13,15)(H,14,16)
InChIKeyFTNHYRIMIZKOMN-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.24
Rot. Bonds4

About N-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide

N-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (PubChem CID 51052402) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
PubChem CID51052402
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cc2c([nH]c1=O)CCC2
InChIInChI=1S/C12H16N2O3/c1-17-6-5-13-11(15)9-7-8-3-2-4-10(8)14-12(9)16/h7H,2-6H2,1H3,(H,13,15)(H,14,16)
InChIKeyFTNHYRIMIZKOMN-UHFFFAOYSA-N
XLogP0.24
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide (CID 51052402) is N-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is COCCNC(=O)c1cc2c([nH]c1=O)CCC2.
What is the InChIKey of N-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
The InChIKey is FTNHYRIMIZKOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-6-5-13-11(15)9-7-8-3-2-4-10(8)14-12(9)16/h7H,2-6H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide?
N-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 51052402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).