(5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one

C16H19N3O2 — CID 50965952

IUPAC(5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CN(Cc2cccnc2)Cc2ccoc2)N1
InChIInChI=1S/C16H19N3O2/c20-16-4-3-15(18-16)11-19(10-14-5-7-21-12-14)9-13-2-1-6-17-8-13/h1-2,5-8,12,15H,3-4,9-11H2,(H,18,20)/t15-/m0/s1
InChIKeyZFULRUYTMJIPRG-HNNXBMFYSA-N
MW285.35 g/mol
LogP1.96
Rot. Bonds6

About (5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one

(5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one (PubChem CID 50965952) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
PubChem CID50965952
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](CN(Cc2cccnc2)Cc2ccoc2)N1
InChIInChI=1S/C16H19N3O2/c20-16-4-3-15(18-16)11-19(10-14-5-7-21-12-14)9-13-2-1-6-17-8-13/h1-2,5-8,12,15H,3-4,9-11H2,(H,18,20)/t15-/m0/s1
InChIKeyZFULRUYTMJIPRG-HNNXBMFYSA-N
XLogP1.96
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[[1H-imidazol-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 50958027
(5S)-5-[[[1-(4-fluorophenyl)piperidin-4-yl]-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
CID 131925025
4-(dimethylamino)-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 91833864
5-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 29087477
(3aR,6aS)-4-(furan-3-ylmethyl)-1-(pyridin-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97378577
(5R)-5-[[benzyl(2-hydroxyethyl)amino]methyl]pyrrolidin-2-one
CID 66865389
N-(furan-3-ylmethyl)-3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 46998655
3-(6-methoxy-3-pyridinyl)-1-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-1-(pyridin-3-ylmethyl)urea
CID 118773691
(3aS,6aR)-1-(furan-3-ylmethyl)-4-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 124806692
N-(3-chloro-4-fluorophenyl)-N'-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 50971008
N-(3-chloro-4-fluorophenyl)-N'-[(5-oxopyrrolidin-2-yl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 75592718
2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129400998

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one (CID 50965952) is (5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one is O=C1CC[C@@H](CN(Cc2cccnc2)Cc2ccoc2)N1.
What is the InChIKey of (5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is ZFULRUYTMJIPRG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16-4-3-15(18-16)11-19(10-14-5-7-21-12-14)9-13-2-1-6-17-8-13/h1-2,5-8,12,15H,3-4,9-11H2,(H,18,20)/t15-/m0/s1.
What are the key properties of (5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
(5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[furan-3-ylmethyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 50965952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).