(2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C17H25N3O3 — CID 97366471

IUPAC(2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCOCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@H]2O1
InChIInChI=1S/C17H25N3O3/c1-22-9-7-19-17(21)15-10-14-4-8-20(12-16(14)23-15)11-13-2-5-18-6-3-13/h2-3,5-6,14-16H,4,7-12H2,1H3,(H,19,21)/t14-,15+,16+/m0/s1
InChIKeyQCFRDHBKKPXHJG-ARFHVFGLSA-N
MW319.40 g/mol
LogP0.82
Rot. Bonds6

About (2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 97366471) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID97366471
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESCOCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@H]2O1
InChIInChI=1S/C17H25N3O3/c1-22-9-7-19-17(21)15-10-14-4-8-20(12-16(14)23-15)11-13-2-5-18-6-3-13/h2-3,5-6,14-16H,4,7-12H2,1H3,(H,19,21)/t14-,15+,16+/m0/s1
InChIKeyQCFRDHBKKPXHJG-ARFHVFGLSA-N
XLogP0.82
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[1-[2-(oxolan-3-yl)acetyl]piperidin-4-yl]butyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510932
N-[4-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]butyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510936
N-[4-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]butyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510937
N-[4-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]butyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510940
N-{[2-(4-Fluorophenyl)pyridin-3-YL]methyl}oxolane-2-carboxamide
CID 53148241
2-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]tetrahydro-2-furancarboxamide
CID 70738131
(3aR,7aR)-N-(2-methoxyethyl)-5-(pyridin-4-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362717
2-[(3aR,7S,7aS)-2-(pyridin-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(cyclopropylmethyl)acetamide
CID 97364720
2-[(3aR,7S,7aS)-2-(pyridin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-1-morpholin-4-ylethanone
CID 97364744
[(3aS,4R,7aS)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(oxazinan-2-yl)methanone
CID 97365050
[(3aS,4R,7aS)-6-(pyridin-3-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97365054
(3aR,6S,7aR)-N-cyclopropyl-4-(pyridin-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97365100

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 97366471) is (2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is COCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccncc3)C[C@H]2O1.
What is the InChIKey of (2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is QCFRDHBKKPXHJG-ARFHVFGLSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-22-9-7-19-17(21)15-10-14-4-8-20(12-16(14)23-15)11-13-2-5-18-6-3-13/h2-3,5-6,14-16H,4,7-12H2,1H3,(H,19,21)/t14-,15+,16+/m0/s1.
What are the key properties of (2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aS)-N-(2-methoxyethyl)-6-(pyridin-4-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 97366471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).