N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide

C13H20N2O2 — CID 110196565

IUPACN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide
SMILESCCC(=O)NCC12CCC=C1N(C)C(=O)CC2
InChIInChI=1S/C13H20N2O2/c1-3-11(16)14-9-13-7-4-5-10(13)15(2)12(17)6-8-13/h5H,3-4,6-9H2,1-2H3,(H,14,16)
InChIKeyPPEMUTXUSOBWEE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.43
Rot. Bonds3

About N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide

N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide (PubChem CID 110196565) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide
PubChem CID110196565
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide
SMILESCCC(=O)NCC12CCC=C1N(C)C(=O)CC2
InChIInChI=1S/C13H20N2O2/c1-3-11(16)14-9-13-7-4-5-10(13)15(2)12(17)6-8-13/h5H,3-4,6-9H2,1-2H3,(H,14,16)
InChIKeyPPEMUTXUSOBWEE-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide 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-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide?
The IUPAC name of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide (CID 110196565) is N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide is CCC(=O)NCC12CCC=C1N(C)C(=O)CC2.
What is the InChIKey of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide?
The InChIKey is PPEMUTXUSOBWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-11(16)14-9-13-7-4-5-10(13)15(2)12(17)6-8-13/h5H,3-4,6-9H2,1-2H3,(H,14,16).
What are the key properties of N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide?
N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide has a molecular weight of 236.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]propanamide is sourced from PubChem (CID 110196565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).