5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide

C21H25N3O3 — CID 52512133

About 5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide

5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 52512133) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide
• PubChem CID: 52512133
• Molecular Formula: C21H25N3O3
• Molecular Weight: 367.45 g/mol
• Exact Mass: 367.19
• IUPAC Name: 5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide
• SMILES: CC(C)N1CC[C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1
• InChI: InChI=1S/C21H25N3O3/c1-15(2)24-10-9-16(13-24)12-23-21(25)20-8-7-18(27-20)14-26-19-6-4-3-5-17(19)11-22/h3-8,15-16H,9-10,12-14H2,1-2H3,(H,23,25)/t16-/m1/s1
• InChIKey: RTQJFPWRXMEOQV-MRXNPFEDSA-N
• XLogP: 3.19
• TPSA: 78.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.45
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide?

The IUPAC name of 5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide (CID 52512133) is 5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide.

What is the SMILES notation for 5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide?

The canonical SMILES for 5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide is CC(C)N1CC[C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1.

What is the InChIKey of 5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide?

The InChIKey is RTQJFPWRXMEOQV-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15(2)24-10-9-16(13-24)12-23-21(25)20-8-7-18(27-20)14-26-19-6-4-3-5-17(19)11-22/h3-8,15-16H,9-10,12-14H2,1-2H3,(H,23,25)/t16-/m1/s1.

What are the key properties of 5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide?

5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-cyanophenoxy)methyl]-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 52512133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).