N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide

C19H26N4O2 — CID 128992768

About N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide

N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide (PubChem CID 128992768) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide
• PubChem CID: 128992768
• Molecular Formula: C19H26N4O2
• Molecular Weight: 342.44 g/mol
• Exact Mass: 342.21
• IUPAC Name: N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide
• SMILES: CN(CC(=O)NCc1ccco1)C[C@@H]1CCN(C)[C@H]1c1cccnc1
• InChI: InChI=1S/C19H26N4O2/c1-22(14-18(24)21-12-17-6-4-10-25-17)13-16-7-9-23(2)19(16)15-5-3-8-20-11-15/h3-6,8,10-11,16,19H,7,9,12-14H2,1-2H3,(H,21,24)/t16-,19-/m0/s1
• InChIKey: DMBYGZJSSRWIPD-LPHOPBHVSA-N
• XLogP: 1.92
• TPSA: 61.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.44
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide?

The IUPAC name of N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide (CID 128992768) is N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide?

The canonical SMILES for N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide is CN(CC(=O)NCc1ccco1)C[C@@H]1CCN(C)[C@H]1c1cccnc1.

What is the InChIKey of N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide?

The InChIKey is DMBYGZJSSRWIPD-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(14-18(24)21-12-17-6-4-10-25-17)13-16-7-9-23(2)19(16)15-5-3-8-20-11-15/h3-6,8,10-11,16,19H,7,9,12-14H2,1-2H3,(H,21,24)/t16-,19-/m0/s1.

What are the key properties of N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide?

N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-2-[methyl-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]amino]acetamide is sourced from PubChem (CID 128992768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).