2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide

C19H23N3O2S — CID 124792791

IUPAC2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(C[C@@]12COC[C@@H]1CN(Cc1cccnc1)C2)NCc1cccs1
InChIInChI=1S/C19H23N3O2S/c23-18(21-9-17-4-2-6-25-17)7-19-13-22(11-16(19)12-24-14-19)10-15-3-1-5-20-8-15/h1-6,8,16H,7,9-14H2,(H,21,23)/t16-,19+/m0/s1
InChIKeyKVOXTJYKZQNQLY-QFBILLFUSA-N
MW357.48 g/mol
LogP2.30
Rot. Bonds6

About 2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 124792791) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID124792791
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(C[C@@]12COC[C@@H]1CN(Cc1cccnc1)C2)NCc1cccs1
InChIInChI=1S/C19H23N3O2S/c23-18(21-9-17-4-2-6-25-17)7-19-13-22(11-16(19)12-24-14-19)10-15-3-1-5-20-8-15/h1-6,8,16H,7,9-14H2,(H,21,23)/t16-,19+/m0/s1
InChIKeyKVOXTJYKZQNQLY-QFBILLFUSA-N
XLogP2.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3aS,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 97475175
2-[(3aR,6aS)-5-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 124788438
N-[[(3aR,6aR)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide
CID 97484602
N-[[(3aR,6aR)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155829976
2-[(3aS,6aR)-5-(furan-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 97474574
2-[(3aS,6aR)-5-pyrimidin-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-3-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155847257
2-[(3aS,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-3-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155838043
N-[[(3aS,6aS)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide
CID 124781236
(3aS,6aS)-5-(pyridin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 124781992
(3aR,6aR)-5-(furan-3-ylmethyl)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97476892
(3aR,6aR)-N-(pyridin-2-ylmethyl)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;tris(2,2,2-trifluoroacetic acid)
CID 127022519
(3aS,6aR)-3a-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155847894

Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 124792791) is 2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(C[C@@]12COC[C@@H]1CN(Cc1cccnc1)C2)NCc1cccs1.
What is the InChIKey of 2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KVOXTJYKZQNQLY-QFBILLFUSA-N. The full InChI is InChI=1S/C19H23N3O2S/c23-18(21-9-17-4-2-6-25-17)7-19-13-22(11-16(19)12-24-14-19)10-15-3-1-5-20-8-15/h1-6,8,16H,7,9-14H2,(H,21,23)/t16-,19+/m0/s1.
What are the key properties of 2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 357.48 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,6aS)-5-(pyridin-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 124792791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).