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

C18H25N3O2 — CID 129007294

IUPAC[5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol
SMILESCN(Cc1ccc(CO)o1)C[C@@H]1CCN(C)[C@H]1c1cccnc1
InChIInChI=1S/C18H25N3O2/c1-20(12-16-5-6-17(13-22)23-16)11-15-7-9-21(2)18(15)14-4-3-8-19-10-14/h3-6,8,10,15,18,22H,7,9,11-13H2,1-2H3/t15-,18-/m0/s1
InChIKeyJFLKDCSFAANCPZ-YJBOKZPZSA-N
MW315.42 g/mol
LogP2.29
Rot. Bonds6

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

[5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol (PubChem CID 129007294) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol
PubChem CID129007294
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol
SMILESCN(Cc1ccc(CO)o1)C[C@@H]1CCN(C)[C@H]1c1cccnc1
InChIInChI=1S/C18H25N3O2/c1-20(12-16-5-6-17(13-22)23-16)11-15-7-9-21(2)18(15)14-4-3-8-19-10-14/h3-6,8,10,15,18,22H,7,9,11-13H2,1-2H3/t15-,18-/m0/s1
InChIKeyJFLKDCSFAANCPZ-YJBOKZPZSA-N
XLogP2.29
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methylamino]methyl]furan-2-yl]methanol
CID 129004287
[5-[[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol
CID 128983856
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
N-[(4-ethoxyphenyl)methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128993081
N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide
CID 128992768
2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]-2-phenylacetamide
CID 128967466
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129004766
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-3-phenoxypropan-1-amine
CID 128969041
N-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 129336554
N,1,3,5-tetramethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 128970240
2-cyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 128995545
N-methyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-2-(oxan-2-yl)acetamide
CID 129006575

Frequently Asked Questions

What is the IUPAC name of [5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol (CID 129007294) is [5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol is CN(Cc1ccc(CO)o1)C[C@@H]1CCN(C)[C@H]1c1cccnc1.
What is the InChIKey of [5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol?
The InChIKey is JFLKDCSFAANCPZ-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20(12-16-5-6-17(13-22)23-16)11-15-7-9-21(2)18(15)14-4-3-8-19-10-14/h3-6,8,10,15,18,22H,7,9,11-13H2,1-2H3/t15-,18-/m0/s1.
What are the key properties of [5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol?
[5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol has a molecular weight of 315.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 129007294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).