N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide

C16H21N3O4 — CID 125240073

IUPACN-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@@H]21
InChIInChI=1S/C16H21N3O4/c1-11(20)18-6-16(21)19-7-15(13-9-22-10-14(13)19)23-8-12-3-2-4-17-5-12/h2-5,13-15H,6-10H2,1H3,(H,18,20)/t13-,14+,15+/m1/s1
InChIKeySVGVXGCATMDXDC-ILXRZTDVSA-N
MW319.36 g/mol
LogP-0.04
Rot. Bonds5

About N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide

N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide (PubChem CID 125240073) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide
PubChem CID125240073
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@@H]21
InChIInChI=1S/C16H21N3O4/c1-11(20)18-6-16(21)19-7-15(13-9-22-10-14(13)19)23-8-12-3-2-4-17-5-12/h2-5,13-15H,6-10H2,1H3,(H,18,20)/t13-,14+,15+/m1/s1
InChIKeySVGVXGCATMDXDC-ILXRZTDVSA-N
XLogP-0.04
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide with MolForge

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Related Compounds

[(3R,3aR,6aS)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155826994
N-[2-[(2R,3R)-3-ethoxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 97470570
(3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97378627
(3-hydroxycyclobutyl)-[5-(pyridin-3-ylmethoxy)-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 131691328
1-[(3aR,7aS)-4-(pyridin-3-ylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-methoxyethanone
CID 127023842
(3aS,7aR)-2-ethylsulfonyl-4-(pyridin-3-ylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 133139934
[(3S,3aS,6aR)-3-ethoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone
CID 133145120
methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate
CID 169210710
[(4aS,7S,7aR)-7-(pyridin-3-ylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyridin-3-ylmethanone
CID 97365975
1-[(4aS,7S,7aR)-7-(pyridin-3-ylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-cyclopent-2-en-1-ylethanone
CID 131661730
1-[(2R,5R)-2,5-dimethylmorpholin-4-yl]-2-[[2-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]ethanone
CID 124734258
[(3R,3aS,7aS)-3-(pyridin-3-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(5-methylfuran-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 127023342

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide (CID 125240073) is N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1C[C@H](OCc2cccnc2)[C@@H]2COC[C@@H]21.
What is the InChIKey of N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide?
The InChIKey is SVGVXGCATMDXDC-ILXRZTDVSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-11(20)18-6-16(21)19-7-15(13-9-22-10-14(13)19)23-8-12-3-2-4-17-5-12/h2-5,13-15H,6-10H2,1H3,(H,18,20)/t13-,14+,15+/m1/s1.
What are the key properties of N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide?
N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide has a molecular weight of 319.36 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,3aS,6aR)-3-(pyridin-3-ylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 125240073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).