2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone

C18H23N3O2 — CID 129400998

About 2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone

2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 129400998) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
• PubChem CID: 129400998
• Molecular Formula: C18H23N3O2
• Molecular Weight: 313.40 g/mol
• Exact Mass: 313.18
• IUPAC Name: 2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
• SMILES: CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2ccoc2)C1
• InChI: InChI=1S/C18H23N3O2/c1-20(11-16-3-2-6-19-10-16)12-17-4-7-21(13-17)18(22)9-15-5-8-23-14-15/h2-3,5-6,8,10,14,17H,4,7,9,11-13H2,1H3/t17-/m0/s1
• InChIKey: MTNYAMYKPGQZPP-KRWDZBQOSA-N
• XLogP: 2.20
• TPSA: 49.58 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.40
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone?

The IUPAC name of 2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone (CID 129400998) is 2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone is CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2ccoc2)C1.

What is the InChIKey of 2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone?

The InChIKey is MTNYAMYKPGQZPP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20(11-16-3-2-6-19-10-16)12-17-4-7-21(13-17)18(22)9-15-5-8-23-14-15/h2-3,5-6,8,10,14,17H,4,7,9,11-13H2,1H3/t17-/m0/s1.

What are the key properties of 2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone?

2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 313.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129400998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).