6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide

C28H28N6O4 — CID 102089949

About 6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide

6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide (PubChem CID 102089949) has the molecular formula C28H28N6O4 and a molecular weight of 512.57 g/mol. Its IUPAC name is 6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide
• PubChem CID: 102089949
• Molecular Formula: C28H28N6O4
• Molecular Weight: 512.57 g/mol
• Exact Mass: 512.22
• IUPAC Name: 6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide
• SMILES: O=C(NCCOCCOCCNC(=O)c1ccc(-c2ccccn2)nc1)c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C28H28N6O4/c35-27(21-7-9-25(33-19-21)23-5-1-3-11-29-23)31-13-15-37-17-18-38-16-14-32-28(36)22-8-10-26(34-20-22)24-6-2-4-12-30-24/h1-12,19-20H,13-18H2,(H,31,35)(H,32,36)
• InChIKey: JWOMHMYSIKURKP-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 128.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.57
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide?

The IUPAC name of 6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide (CID 102089949) is 6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide?

The canonical SMILES for 6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide is O=C(NCCOCCOCCNC(=O)c1ccc(-c2ccccn2)nc1)c1ccc(-c2ccccn2)nc1.

What is the InChIKey of 6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide?

The InChIKey is JWOMHMYSIKURKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O4/c35-27(21-7-9-25(33-19-21)23-5-1-3-11-29-23)31-13-15-37-17-18-38-16-14-32-28(36)22-8-10-26(34-20-22)24-6-2-4-12-30-24/h1-12,19-20H,13-18H2,(H,31,35)(H,32,36).

What are the key properties of 6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide?

6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide has a molecular weight of 512.57 g/mol, XLogP of 2.79, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-pyridin-2-yl-N-[2-[2-[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethoxy]ethoxy]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 102089949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).