(4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide

C18H28N2O5 — CID 131689747

IUPAC(4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)C3[C@H]4COC[C@@H]34)C[C@H]21
InChIInChI=1S/C18H28N2O5/c1-23-7-4-19-17(21)11-3-6-25-15-2-5-20(8-12(11)15)18(22)16-13-9-24-10-14(13)16/h11-16H,2-10H2,1H3,(H,19,21)/t11-,12+,13-,14+,15-,16?/m1/s1
InChIKeyPSPZSBVSYMASKE-WEZGTFFGSA-N
MW352.43 g/mol
LogP-0.10
Rot. Bonds5

About (4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide

(4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (PubChem CID 131689747) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is (4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
PubChem CID131689747
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name(4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
SMILESCOCCNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)C3[C@H]4COC[C@@H]34)C[C@H]21
InChIInChI=1S/C18H28N2O5/c1-23-7-4-19-17(21)11-3-6-25-15-2-5-20(8-12(11)15)18(22)16-13-9-24-10-14(13)16/h11-16H,2-10H2,1H3,(H,19,21)/t11-,12+,13-,14+,15-,16?/m1/s1
InChIKeyPSPZSBVSYMASKE-WEZGTFFGSA-N
XLogP-0.10
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-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 (4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The IUPAC name of (4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide (CID 131689747) is (4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide.
What is the SMILES notation for (4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for (4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)C3[C@H]4COC[C@@H]34)C[C@H]21.
What is the InChIKey of (4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
The InChIKey is PSPZSBVSYMASKE-WEZGTFFGSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-23-7-4-19-17(21)11-3-6-25-15-2-5-20(8-12(11)15)18(22)16-13-9-24-10-14(13)16/h11-16H,2-10H2,1H3,(H,19,21)/t11-,12+,13-,14+,15-,16?/m1/s1.
What are the key properties of (4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide?
(4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide has a molecular weight of 352.43 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aR,8aR)-N-(2-methoxyethyl)-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 131689747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).