1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol

C21H25N3O2 — CID 133497039

IUPAC1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol
SMILESCc1cc2c(N(C)CC3(O)CCN(Cc4ccccc4)C3)nccc2o1
InChIInChI=1S/C21H25N3O2/c1-16-12-18-19(26-16)8-10-22-20(18)23(2)14-21(25)9-11-24(15-21)13-17-6-4-3-5-7-17/h3-8,10,12,25H,9,11,13-15H2,1-2H3
InChIKeyJPUHZUUZLQGCQG-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.21
Rot. Bonds5

About 1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol

1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol (PubChem CID 133497039) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol
PubChem CID133497039
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol
SMILESCc1cc2c(N(C)CC3(O)CCN(Cc4ccccc4)C3)nccc2o1
InChIInChI=1S/C21H25N3O2/c1-16-12-18-19(26-16)8-10-22-20(18)23(2)14-21(25)9-11-24(15-21)13-17-6-4-3-5-7-17/h3-8,10,12,25H,9,11,13-15H2,1-2H3
InChIKeyJPUHZUUZLQGCQG-UHFFFAOYSA-N
XLogP3.21
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

4-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 138038007
1-benzyl-3-[[(4,5-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-3-ol
CID 133497177
1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol
CID 133497130
1-benzyl-3-[[methyl-(4-methyl-5-nitro-2-pyridinyl)amino]methyl]pyrrolidin-3-ol
CID 133497056
1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol
CID 133497001
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170
4-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133497000
1-benzyl-3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol
CID 133497154
5-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylamino]-3-chloro-1,2-thiazole-4-carbonitrile
CID 133496991
1-benzyl-3-[[methyl-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]pyrrolidin-3-ol
CID 133497128
6-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylamino]-3-chloropyridine-2-carbonitrile
CID 133497042
(3S)-1-benzyl-3-[[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 124620280

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol (CID 133497039) is 1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol is Cc1cc2c(N(C)CC3(O)CCN(Cc4ccccc4)C3)nccc2o1.
What is the InChIKey of 1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol?
The InChIKey is JPUHZUUZLQGCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-12-18-19(26-16)8-10-22-20(18)23(2)14-21(25)9-11-24(15-21)13-17-6-4-3-5-7-17/h3-8,10,12,25H,9,11,13-15H2,1-2H3.
What are the key properties of 1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol?
1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol has a molecular weight of 351.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 133497039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).