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

C13H20N2O3 — CID 110196558

IUPAC2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide
SMILESCOCC(=O)NCC12CCC=C1N(C)C(=O)CC2
InChIInChI=1S/C13H20N2O3/c1-15-10-4-3-6-13(10,7-5-12(15)17)9-14-11(16)8-18-2/h4H,3,5-9H2,1-2H3,(H,14,16)
InChIKeyRSCNSYTVBVYMSE-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.67
Rot. Bonds4

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

2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide (PubChem CID 110196558) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide
PubChem CID110196558
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide
SMILESCOCC(=O)NCC12CCC=C1N(C)C(=O)CC2
InChIInChI=1S/C13H20N2O3/c1-15-10-4-3-6-13(10,7-5-12(15)17)9-14-11(16)8-18-2/h4H,3,5-9H2,1-2H3,(H,14,16)
InChIKeyRSCNSYTVBVYMSE-UHFFFAOYSA-N
XLogP0.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide with MolForge

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Related Compounds

1-methyl-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]pyrrole-2-carboxamide
CID 110196564
N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]-1H-indazole-3-carboxamide
CID 91920216
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide
CID 110196539
N-[[(4aS)-1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl]methyl]-4-fluorobenzamide
CID 164639662
N-[(1-aminocyclopropyl)methyl]-2-methoxyacetamide
CID 165463023
2-methoxy-N-[(1-methylcyclopropyl)methyl]acetamide
CID 103722186
2-(2-methoxyethoxy)-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide
CID 91909508
2-methoxy-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103737380
2-methoxy-N-[(1-methylcyclopentyl)methyl]acetamide
CID 63822122
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methoxyacetamide
CID 114751101
1-[[(2-methoxyacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435584
N-[[(1S,4S,5S)-4-hydroxy-5-morpholin-4-yl-1-phenylcycloheptyl]methyl]-2-methoxyacetamide
CID 110159907

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide?
The IUPAC name of 2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide (CID 110196558) is 2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide is COCC(=O)NCC12CCC=C1N(C)C(=O)CC2.
What is the InChIKey of 2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide?
The InChIKey is RSCNSYTVBVYMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15-10-4-3-6-13(10,7-5-12(15)17)9-14-11(16)8-18-2/h4H,3,5-9H2,1-2H3,(H,14,16).
What are the key properties of 2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide?
2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methyl-2-oxo-3,4,5,6-tetrahydrocyclopenta[b]pyridin-4a-yl)methyl]acetamide is sourced from PubChem (CID 110196558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).