6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide

C34H30N2O4 — CID 135034787

About 6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide

6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide (PubChem CID 135034787) has the molecular formula C34H30N2O4 and a molecular weight of 530.62 g/mol. Its IUPAC name is 6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide
• PubChem CID: 135034787
• Molecular Formula: C34H30N2O4
• Molecular Weight: 530.62 g/mol
• Exact Mass: 530.22
• IUPAC Name: 6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide
• SMILES: Cc1ccc2cc(OCC=CCOc3ccc4cc([C@@H](C)NC(=O)c5cccc(C=O)n5)ccc4c3)ccc2c1
• InChI: InChI=1S/C34H30N2O4/c1-23-8-9-28-20-31(14-12-26(28)18-23)39-16-3-4-17-40-32-15-13-27-19-25(10-11-29(27)21-32)24(2)35-34(38)33-7-5-6-30(22-37)36-33/h3-15,18-22,24H,16-17H2,1-2H3,(H,35,38)/t24-/m1/s1
• InChIKey: OIDQJNGWQWNFQK-XMMPIXPASA-N
• XLogP: 7.01
• TPSA: 77.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.62
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide?

The IUPAC name of 6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide (CID 135034787) is 6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide?

The canonical SMILES for 6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide is Cc1ccc2cc(OCC=CCOc3ccc4cc([C@@H](C)NC(=O)c5cccc(C=O)n5)ccc4c3)ccc2c1.

What is the InChIKey of 6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide?

The InChIKey is OIDQJNGWQWNFQK-XMMPIXPASA-N. The full InChI is InChI=1S/C34H30N2O4/c1-23-8-9-28-20-31(14-12-26(28)18-23)39-16-3-4-17-40-32-15-13-27-19-25(10-11-29(27)21-32)24(2)35-34(38)33-7-5-6-30(22-37)36-33/h3-15,18-22,24H,16-17H2,1-2H3,(H,35,38)/t24-/m1/s1.

What are the key properties of 6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide?

6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 530.62 g/mol, XLogP of 7.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-formyl-N-[(1R)-1-[6-[4-(6-methylnaphthalen-2-yl)oxybut-2-enoxy]naphthalen-2-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 135034787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).