(2R)-N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid

C26H34F3N3O5 — CID 44536275

About (2R)-N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid

(2R)-N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44536275) has the molecular formula C26H34F3N3O5 and a molecular weight of 525.57 g/mol. Its IUPAC name is (2R)-N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (2R)-N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 44536275
• Molecular Formula: C26H34F3N3O5
• Molecular Weight: 525.57 g/mol
• Exact Mass: 525.25
• IUPAC Name: (2R)-N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)[C@H]3CCCO3)cc2)nc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H33N3O3.C2HF3O2/c1-3-12-25-16-20-8-11-22(26-17-20)21-9-6-19(7-10-21)18-27(13-15-29-2)24(28)23-5-4-14-30-23;3-2(4,5)1(6)7/h6-11,17,23,25H,3-5,12-16,18H2,1-2H3;(H,6,7)/t23-;/m1./s1
• InChIKey: DGMAJICNHZWKGW-GNAFDRTKSA-N
• XLogP: 4.04
• TPSA: 100.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.57
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of (2R)-N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid (CID 44536275) is (2R)-N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (2R)-N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for (2R)-N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid is CCCNCc1ccc(-c2ccc(CN(CCOC)C(=O)[C@H]3CCCO3)cc2)nc1.O=C(O)C(F)(F)F.

What is the InChIKey of (2R)-N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is DGMAJICNHZWKGW-GNAFDRTKSA-N. The full InChI is InChI=1S/C24H33N3O3.C2HF3O2/c1-3-12-25-16-20-8-11-22(26-17-20)21-9-6-19(7-10-21)18-27(13-15-29-2)24(28)23-5-4-14-30-23;3-2(4,5)1(6)7/h6-11,17,23,25H,3-5,12-16,18H2,1-2H3;(H,6,7)/t23-;/m1./s1.

What are the key properties of (2R)-N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid?

(2R)-N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 525.57 g/mol, XLogP of 4.04, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(2-methoxyethyl)-N-[[4-[5-(propylaminomethyl)-2-pyridinyl]phenyl]methyl]oxolane-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44536275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).