2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide

C31H31N5O3 — CID 121256369

About 2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide

2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide (PubChem CID 121256369) has the molecular formula C31H31N5O3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide
• PubChem CID: 121256369
• Molecular Formula: C31H31N5O3
• Molecular Weight: 521.62 g/mol
• Exact Mass: 521.24
• IUPAC Name: 2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide
• SMILES: O=C(Cc1ccccc1)Nc1ccc(OC2CCN(c3ccc(NC(=O)Cc4ccccc4)nc3)CC2)nc1
• InChI: InChI=1S/C31H31N5O3/c37-29(19-23-7-3-1-4-8-23)34-25-11-14-31(33-21-25)39-27-15-17-36(18-16-27)26-12-13-28(32-22-26)35-30(38)20-24-9-5-2-6-10-24/h1-14,21-22,27H,15-20H2,(H,34,37)(H,32,35,38)
• InChIKey: QRYOIPURYGUVFY-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 96.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.62
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide?

The IUPAC name of 2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide (CID 121256369) is 2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide.

What is the SMILES notation for 2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide?

The canonical SMILES for 2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide is O=C(Cc1ccccc1)Nc1ccc(OC2CCN(c3ccc(NC(=O)Cc4ccccc4)nc3)CC2)nc1.

What is the InChIKey of 2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide?

The InChIKey is QRYOIPURYGUVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O3/c37-29(19-23-7-3-1-4-8-23)34-25-11-14-31(33-21-25)39-27-15-17-36(18-16-27)26-12-13-28(32-22-26)35-30(38)20-24-9-5-2-6-10-24/h1-14,21-22,27H,15-20H2,(H,34,37)(H,32,35,38).

What are the key properties of 2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide?

2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide has a molecular weight of 521.62 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-N-[6-[1-[6-[(2-phenylacetyl)amino]-3-pyridinyl]piperidin-4-yl]oxy-3-pyridinyl]acetamide is sourced from PubChem (CID 121256369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).