(3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

C17H23N3O3 — CID 125235405

IUPAC(3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCC(=O)N1CC[C@H]2OCC[C@]2(C(=O)NCCc2ccccn2)C1
InChIInChI=1S/C17H23N3O3/c1-13(21)20-10-6-15-17(12-20,7-11-23-15)16(22)19-9-5-14-4-2-3-8-18-14/h2-4,8,15H,5-7,9-12H2,1H3,(H,19,22)/t15-,17+/m1/s1
InChIKeySMIMXCHLQFMZIY-WBVHZDCISA-N
MW317.39 g/mol
LogP0.77
Rot. Bonds4

About (3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide

(3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (PubChem CID 125235405) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.

Molecular Properties

Compound Name(3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
PubChem CID125235405
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
SMILESCC(=O)N1CC[C@H]2OCC[C@]2(C(=O)NCCc2ccccn2)C1
InChIInChI=1S/C17H23N3O3/c1-13(21)20-10-6-15-17(12-20,7-11-23-15)16(22)19-9-5-14-4-2-3-8-18-14/h2-4,8,15H,5-7,9-12H2,1H3,(H,19,22)/t15-,17+/m1/s1
InChIKeySMIMXCHLQFMZIY-WBVHZDCISA-N
XLogP0.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3aR,7aR)-N-(2-pyridin-2-ylethyl)-3,4,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine-3a-carboxamide;dihydrochloride
CID 155834162
(3aR,7aR)-N-(pyridin-2-ylmethyl)-5-pyrimidin-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97387292
4-amino-N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 113280565
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
(3aS,7aS)-5-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 124781282
1-tert-butyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 51357520
1-amino-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 24704991
3,5-dimethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 47128142
4-methyl-1-(2-pyridin-2-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 63123409
(2R,3S)-2-(4-bromophenyl)-3-methyl-N-(2-pyridin-2-ylethyl)morpholine-4-carboxamide
CID 97245159
3-(4-acetyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 91921094
[(3aS,7aR)-3a-(pyridin-2-ylmethoxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 97423374

Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The IUPAC name of (3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide (CID 125235405) is (3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide.
What is the SMILES notation for (3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The canonical SMILES for (3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is CC(=O)N1CC[C@H]2OCC[C@]2(C(=O)NCCc2ccccn2)C1.
What is the InChIKey of (3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
The InChIKey is SMIMXCHLQFMZIY-WBVHZDCISA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13(21)20-10-6-15-17(12-20,7-11-23-15)16(22)19-9-5-14-4-2-3-8-18-14/h2-4,8,15H,5-7,9-12H2,1H3,(H,19,22)/t15-,17+/m1/s1.
What are the key properties of (3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide?
(3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-5-acetyl-N-(2-pyridin-2-ylethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide is sourced from PubChem (CID 125235405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).