[5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol

C17H23N3O2 — CID 129004287

IUPAC[5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol
SMILESCN1CC[C@@H](CNCc2ccc(CO)o2)[C@@H]1c1cccnc1
InChIInChI=1S/C17H23N3O2/c1-20-8-6-14(17(20)13-3-2-7-18-9-13)10-19-11-15-4-5-16(12-21)22-15/h2-5,7,9,14,17,19,21H,6,8,10-12H2,1H3/t14-,17-/m0/s1
InChIKeyWTSVODUHGJTITB-YOEHRIQHSA-N
MW301.39 g/mol
LogP1.95
Rot. Bonds6

About [5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol

[5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol (PubChem CID 129004287) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol
PubChem CID129004287
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name[5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol
SMILESCN1CC[C@@H](CNCc2ccc(CO)o2)[C@@H]1c1cccnc1
InChIInChI=1S/C17H23N3O2/c1-20-8-6-14(17(20)13-3-2-7-18-9-13)10-19-11-15-4-5-16(12-21)22-15/h2-5,7,9,14,17,19,21H,6,8,10-12H2,1H3/t14-,17-/m0/s1
InChIKeyWTSVODUHGJTITB-YOEHRIQHSA-N
XLogP1.95
TPSA61.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol with MolForge

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Related Compounds

[5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol
CID 129007294
N-[(2-methylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128997727
1-cyclohexyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]methanamine
CID 128997853
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
N-[(2-ethylpyrazol-3-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128997330
6-methyl-2-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]pyridin-3-ol
CID 128968917
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 129006338
1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 129000980
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128967213
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 128968522
1-[(2-methylpyrazol-3-yl)methyl]-3-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]urea
CID 128974623
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128967268

Frequently Asked Questions

What is the IUPAC name of [5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol (CID 129004287) is [5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol is CN1CC[C@@H](CNCc2ccc(CO)o2)[C@@H]1c1cccnc1.
What is the InChIKey of [5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol?
The InChIKey is WTSVODUHGJTITB-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-20-8-6-14(17(20)13-3-2-7-18-9-13)10-19-11-15-4-5-16(12-21)22-15/h2-5,7,9,14,17,19,21H,6,8,10-12H2,1H3/t14-,17-/m0/s1.
What are the key properties of [5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol?
[5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol has a molecular weight of 301.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 129004287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).