(3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone

C19H25N3O2 — CID 129401079

IUPAC(3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)o1
InChIInChI=1S/C19H25N3O2/c1-14-9-15(2)24-18(14)19(23)22-8-6-17(13-22)12-21(3)11-16-5-4-7-20-10-16/h4-5,7,9-10,17H,6,8,11-13H2,1-3H3/t17-/m1/s1
InChIKeyISPDYRGLFJINRU-QGZVFWFLSA-N
MW327.43 g/mol
LogP2.89
Rot. Bonds5

About (3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone

(3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone (PubChem CID 129401079) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
PubChem CID129401079
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)c(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)o1
InChIInChI=1S/C19H25N3O2/c1-14-9-15(2)24-18(14)19(23)22-8-6-17(13-22)12-21(3)11-16-5-4-7-20-10-16/h4-5,7,9-10,17H,6,8,11-13H2,1-3H3/t17-/m1/s1
InChIKeyISPDYRGLFJINRU-QGZVFWFLSA-N
XLogP2.89
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(3,4-dimethylphenyl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 128970177
(3-methyl-1,2-oxazol-5-yl)-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 129400971
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 128997703
(3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
CID 129342529
4-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]benzonitrile
CID 129400968
2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129400998
2,5,6-trimethyl-4-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]pyridazin-3-one
CID 127975170
1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 128997041
2-(3-fluorophenyl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129401045
2-(6-methyl-3-pyridinyl)-1-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129401008
N-cyclopent-3-en-1-yl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
CID 128997042
3-methoxy-1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 128997268

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone (CID 129401079) is (3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone is Cc1cc(C)c(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)o1.
What is the InChIKey of (3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is ISPDYRGLFJINRU-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-9-15(2)24-18(14)19(23)22-8-6-17(13-22)12-21(3)11-16-5-4-7-20-10-16/h4-5,7,9-10,17H,6,8,11-13H2,1-3H3/t17-/m1/s1.
What are the key properties of (3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone?
(3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129401079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).