5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide

C28H30N2O2 — CID 54386374

About 5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide

5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide (PubChem CID 54386374) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide.

Molecular Properties

• Compound Name: 5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
• PubChem CID: 54386374
• Molecular Formula: C28H30N2O2
• Molecular Weight: 426.56 g/mol
• Exact Mass: 426.23
• IUPAC Name: 5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
• SMILES: COc1ccc(C(=CC=CC(=O)N[C@H](C)CCCc2cccnc2)c2ccccc2)cc1
• InChI: InChI=1S/C28H30N2O2/c1-22(9-6-10-23-11-8-20-29-21-23)30-28(31)15-7-14-27(24-12-4-3-5-13-24)25-16-18-26(32-2)19-17-25/h3-5,7-8,11-22H,6,9-10H2,1-2H3,(H,30,31)/t22-/m1/s1
• InChIKey: VDNHRLWFBHTMGP-JOCHJYFZSA-N
• XLogP: 5.61
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.56
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide?

The IUPAC name of 5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide (CID 54386374) is 5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide.

What is the SMILES notation for 5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide?

The canonical SMILES for 5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide is COc1ccc(C(=CC=CC(=O)N[C@H](C)CCCc2cccnc2)c2ccccc2)cc1.

What is the InChIKey of 5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide?

The InChIKey is VDNHRLWFBHTMGP-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H30N2O2/c1-22(9-6-10-23-11-8-20-29-21-23)30-28(31)15-7-14-27(24-12-4-3-5-13-24)25-16-18-26(32-2)19-17-25/h3-5,7-8,11-22H,6,9-10H2,1-2H3,(H,30,31)/t22-/m1/s1.

What are the key properties of 5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide?

5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide has a molecular weight of 426.56 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxyphenyl)-5-phenyl-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide is sourced from PubChem (CID 54386374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).