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

C33H34N2O3 — CID 54167167

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

5-(4-methoxynaphthalen-2-yl)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide (PubChem CID 54167167) has the molecular formula C33H34N2O3 and a molecular weight of 506.65 g/mol. Its IUPAC name is 5-(4-methoxynaphthalen-2-yl)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide.

Molecular Properties

• Compound Name: 5-(4-methoxynaphthalen-2-yl)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
• PubChem CID: 54167167
• Molecular Formula: C33H34N2O3
• Molecular Weight: 506.65 g/mol
• Exact Mass: 506.26
• IUPAC Name: 5-(4-methoxynaphthalen-2-yl)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide
• SMILES: COc1ccc(C(=CC=CC(=O)N[C@H](C)CCCc2cccnc2)c2cc(OC)c3ccccc3c2)cc1
• InChI: InChI=1S/C33H34N2O3/c1-24(9-6-10-25-11-8-20-34-23-25)35-33(36)15-7-14-30(26-16-18-29(37-2)19-17-26)28-21-27-12-4-5-13-31(27)32(22-28)38-3/h4-5,7-8,11-24H,6,9-10H2,1-3H3,(H,35,36)/t24-/m1/s1
• InChIKey: OSLQHPGGVXKBHA-XMMPIXPASA-N
• XLogP: 6.77
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.65
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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

The IUPAC name of 5-(4-methoxynaphthalen-2-yl)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide (CID 54167167) is 5-(4-methoxynaphthalen-2-yl)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide.

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

The canonical SMILES for 5-(4-methoxynaphthalen-2-yl)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide is COc1ccc(C(=CC=CC(=O)N[C@H](C)CCCc2cccnc2)c2cc(OC)c3ccccc3c2)cc1.

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

The InChIKey is OSLQHPGGVXKBHA-XMMPIXPASA-N. The full InChI is InChI=1S/C33H34N2O3/c1-24(9-6-10-25-11-8-20-34-23-25)35-33(36)15-7-14-30(26-16-18-29(37-2)19-17-26)28-21-27-12-4-5-13-31(27)32(22-28)38-3/h4-5,7-8,11-24H,6,9-10H2,1-3H3,(H,35,36)/t24-/m1/s1.

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

5-(4-methoxynaphthalen-2-yl)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide has a molecular weight of 506.65 g/mol, XLogP of 6.77, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-methoxynaphthalen-2-yl)-5-(4-methoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]penta-2,4-dienamide is sourced from PubChem (CID 54167167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).