N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide

C18H25N5O2 — CID 95600251

About N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide

N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide (PubChem CID 95600251) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide
• PubChem CID: 95600251
• Molecular Formula: C18H25N5O2
• Molecular Weight: 343.43 g/mol
• Exact Mass: 343.20
• IUPAC Name: N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide
• SMILES: C[C@H](NC(=O)CN(C)C[C@@H]1CCCN1c1cccnn1)c1ccco1
• InChI: InChI=1S/C18H25N5O2/c1-14(16-7-5-11-25-16)20-18(24)13-22(2)12-15-6-4-10-23(15)17-8-3-9-19-21-17/h3,5,7-9,11,14-15H,4,6,10,12-13H2,1-2H3,(H,20,24)/t14-,15-/m0/s1
• InChIKey: ZBMHVJINEAZPGR-GJZGRUSLSA-N
• XLogP: 1.85
• TPSA: 74.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.43
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide?

The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide (CID 95600251) is N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide.

What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide?

The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide is C[C@H](NC(=O)CN(C)C[C@@H]1CCCN1c1cccnn1)c1ccco1.

What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide?

The InChIKey is ZBMHVJINEAZPGR-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14(16-7-5-11-25-16)20-18(24)13-22(2)12-15-6-4-10-23(15)17-8-3-9-19-21-17/h3,5,7-9,11,14-15H,4,6,10,12-13H2,1-2H3,(H,20,24)/t14-,15-/m0/s1.

What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide?

N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(furan-2-yl)ethyl]-2-[methyl-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 95600251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).