2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide

C19H27N3O3 — CID 97474317

IUPAC2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(C[C@@H]1C[C@H]2CN(C3CCOCC3)C[C@H]2O1)NCc1cccnc1
InChIInChI=1S/C19H27N3O3/c23-19(21-11-14-2-1-5-20-10-14)9-17-8-15-12-22(13-18(15)25-17)16-3-6-24-7-4-16/h1-2,5,10,15-18H,3-4,6-9,11-13H2,(H,21,23)/t15-,17-,18+/m0/s1
InChIKeyXWZKCMLPESPYNH-RYQLBKOJSA-N
MW345.44 g/mol
LogP1.36
Rot. Bonds5

About 2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 97474317) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID97474317
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(C[C@@H]1C[C@H]2CN(C3CCOCC3)C[C@H]2O1)NCc1cccnc1
InChIInChI=1S/C19H27N3O3/c23-19(21-11-14-2-1-5-20-10-14)9-17-8-15-12-22(13-18(15)25-17)16-3-6-24-7-4-16/h1-2,5,10,15-18H,3-4,6-9,11-13H2,(H,21,23)/t15-,17-,18+/m0/s1
InChIKeyXWZKCMLPESPYNH-RYQLBKOJSA-N
XLogP1.36
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R,3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(oxan-4-ylmethyl)acetamide
CID 97485890
2-[(2S,3aS,6aS)-5-benzyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155850352
2-[(2R,3aS,6aS)-5-cyclopentyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 97476502
2-[(2S,3aS,6aS)-5-cyclobutyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 97474234
(4R)-2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-4-carboxamide
CID 124781326
2-[(2S,3aS,6aS)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-2-ylmethyl)acetamide;tris(2,2,2-trifluoroacetic acid)
CID 155830158
2-[(7R)-5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 124791578
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 79607003
2-[(2R,3aR,6aR)-5-pyridin-3-ylsulfonyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-methylacetamide
CID 134690227
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(pyridine-3-carbonyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-benzylacetamide
CID 54660440
3-morpholin-4-yl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108943446
2-[(1S,3aR,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155854680

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 97474317) is 2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide is O=C(C[C@@H]1C[C@H]2CN(C3CCOCC3)C[C@H]2O1)NCc1cccnc1.
What is the InChIKey of 2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is XWZKCMLPESPYNH-RYQLBKOJSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-19(21-11-14-2-1-5-20-10-14)9-17-8-15-12-22(13-18(15)25-17)16-3-6-24-7-4-16/h1-2,5,10,15-18H,3-4,6-9,11-13H2,(H,21,23)/t15-,17-,18+/m0/s1.
What are the key properties of 2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 345.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3aS,6aS)-5-(oxan-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-2-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 97474317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).