3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide

C25H28N4O3 — CID 118391476

About 3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide

3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide (PubChem CID 118391476) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide.

Molecular Properties

• Compound Name: 3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
• PubChem CID: 118391476
• Molecular Formula: C25H28N4O3
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.22
• IUPAC Name: 3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
• SMILES: Cc1ccc(-c2cc(OC3CNCC3O)cc(C(=O)N[C@@H](C)c3ccc(C)nc3)c2)nc1
• InChI: InChI=1S/C25H28N4O3/c1-15-4-7-22(28-11-15)19-8-20(10-21(9-19)32-24-14-26-13-23(24)30)25(31)29-17(3)18-6-5-16(2)27-12-18/h4-12,17,23-24,26,30H,13-14H2,1-3H3,(H,29,31)/t17-,23?,24?/m0/s1
• InChIKey: VMUFEFNHWAXERR-XWFFHEKESA-N
• XLogP: 2.96
• TPSA: 96.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide?

The IUPAC name of 3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide (CID 118391476) is 3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide.

What is the SMILES notation for 3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide?

The canonical SMILES for 3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide is Cc1ccc(-c2cc(OC3CNCC3O)cc(C(=O)N[C@@H](C)c3ccc(C)nc3)c2)nc1.

What is the InChIKey of 3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide?

The InChIKey is VMUFEFNHWAXERR-XWFFHEKESA-N. The full InChI is InChI=1S/C25H28N4O3/c1-15-4-7-22(28-11-15)19-8-20(10-21(9-19)32-24-14-26-13-23(24)30)25(31)29-17(3)18-6-5-16(2)27-12-18/h4-12,17,23-24,26,30H,13-14H2,1-3H3,(H,29,31)/t17-,23?,24?/m0/s1.

What are the key properties of 3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide?

3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide has a molecular weight of 432.52 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-hydroxypyrrolidin-3-yl)oxy-5-(5-methyl-2-pyridinyl)-N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]benzamide is sourced from PubChem (CID 118391476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).