1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one

C19H25N3O3 — CID 97386772

IUPAC1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C(Cc1ccccn1)N1CC[C@@H]2CO[C@@H](CN3CCCC3=O)[C@@H]2C1
InChIInChI=1S/C19H25N3O3/c23-18-5-3-8-21(18)12-17-16-11-22(9-6-14(16)13-25-17)19(24)10-15-4-1-2-7-20-15/h1-2,4,7,14,16-17H,3,5-6,8-13H2/t14-,16-,17+/m1/s1
InChIKeyDTQZGSSBVOVCIK-OIISXLGYSA-N
MW343.43 g/mol
LogP1.11
Rot. Bonds4

About 1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one

1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 97386772) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one
PubChem CID97386772
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C(Cc1ccccn1)N1CC[C@@H]2CO[C@@H](CN3CCCC3=O)[C@@H]2C1
InChIInChI=1S/C19H25N3O3/c23-18-5-3-8-21(18)12-17-16-11-22(9-6-14(16)13-25-17)19(24)10-15-4-1-2-7-20-15/h1-2,4,7,14,16-17H,3,5-6,8-13H2/t14-,16-,17+/m1/s1
InChIKeyDTQZGSSBVOVCIK-OIISXLGYSA-N
XLogP1.11
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[[(3S,3aR,7aR)-5-(1-methylpyrrole-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one
CID 133142680
1-[[(3R,3aS,7aS)-5-(pyridin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one
CID 124812674
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
1-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridin-2-ylethanone
CID 112534802
1-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-2-ylethanone
CID 131687605
1-[[(3S,3aS,6aS)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyrrolidin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155851991
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
1-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 45188532
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone
CID 97388777
4-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 110217869
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one (CID 97386772) is 1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one is O=C(Cc1ccccn1)N1CC[C@@H]2CO[C@@H](CN3CCCC3=O)[C@@H]2C1.
What is the InChIKey of 1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is DTQZGSSBVOVCIK-OIISXLGYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-18-5-3-8-21(18)12-17-16-11-22(9-6-14(16)13-25-17)19(24)10-15-4-1-2-7-20-15/h1-2,4,7,14,16-17H,3,5-6,8-13H2/t14-,16-,17+/m1/s1.
What are the key properties of 1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one?
1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 97386772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).