6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile

C19H19N3O4 — CID 97421345

IUPAC6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(OC[C@]23COC[C@H]2CN(C(=O)Cc2ccco2)C3)nc1
InChIInChI=1S/C19H19N3O4/c20-7-14-3-4-17(21-8-14)26-13-19-11-22(9-15(19)10-24-12-19)18(23)6-16-2-1-5-25-16/h1-5,8,15H,6,9-13H2/t15-,19+/m1/s1
InChIKeyUAANXICYDUJMNA-BEFAXECRSA-N
MW353.38 g/mol
LogP1.64
Rot. Bonds5

About 6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile

6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile (PubChem CID 97421345) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile
PubChem CID97421345
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(OC[C@]23COC[C@H]2CN(C(=O)Cc2ccco2)C3)nc1
InChIInChI=1S/C19H19N3O4/c20-7-14-3-4-17(21-8-14)26-13-19-11-22(9-15(19)10-24-12-19)18(23)6-16-2-1-5-25-16/h1-5,8,15H,6,9-13H2/t15-,19+/m1/s1
InChIKeyUAANXICYDUJMNA-BEFAXECRSA-N
XLogP1.64
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[(3aR,6aR)-5-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile
CID 97474042
1-[(3aR,6aR)-3a-(pyridin-2-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(furan-2-yl)ethanone
CID 97421256
6-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile
CID 124785156
2-[[(3aR,6aR)-5-(furan-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 97421025
[(3aR,6aR)-3a-(pyridin-2-yloxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(5-methylpyrazin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155837382
1-[(3aS,6aR)-3a-(ethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155833093
1-[(3aR,6aR)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-2-(furan-2-yl)ethanone
CID 124796194
1-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 162637297
1-[(3aR,6aR)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-2-phenylethanone;2,2,2-trifluoroacetic acid
CID 155825353
[(3aS,6aS)-3a-[(4-methylpyrimidin-2-yl)oxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 124893256
2-(furan-2-yl)-1-[4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethanone
CID 133141046
6-[1-[2-(2-chlorophenyl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248816

Frequently Asked Questions

What is the IUPAC name of 6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile (CID 97421345) is 6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile is N#Cc1ccc(OC[C@]23COC[C@H]2CN(C(=O)Cc2ccco2)C3)nc1.
What is the InChIKey of 6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile?
The InChIKey is UAANXICYDUJMNA-BEFAXECRSA-N. The full InChI is InChI=1S/C19H19N3O4/c20-7-14-3-4-17(21-8-14)26-13-19-11-22(9-15(19)10-24-12-19)18(23)6-16-2-1-5-25-16/h1-5,8,15H,6,9-13H2/t15-,19+/m1/s1.
What are the key properties of 6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile?
6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile has a molecular weight of 353.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3aR,6aR)-5-[2-(furan-2-yl)acetyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 97421345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).