2-(5-amino-6-fluoro-2-pyridinyl)-6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide

C24H25F3N6O2 — CID 178093334

About 2-(5-amino-6-fluoro-2-pyridinyl)-6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide

2-(5-amino-6-fluoro-2-pyridinyl)-6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide (PubChem CID 178093334) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is 2-(5-amino-6-fluoro-2-pyridinyl)-6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(5-amino-6-fluoro-2-pyridinyl)-6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide
• PubChem CID: 178093334
• Molecular Formula: C24H25F3N6O2
• Molecular Weight: 486.50 g/mol
• Exact Mass: 486.20
• IUPAC Name: 2-(5-amino-6-fluoro-2-pyridinyl)-6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide
• SMILES: CCOc1ncc(-c2cc(C(=O)N[C@H]3CCCN(C)C3)c(F)c(-c3ccc(N)c(F)n3)n2)cc1F
• InChI: InChI=1S/C24H25F3N6O2/c1-3-35-24-16(25)9-13(11-29-24)19-10-15(23(34)30-14-5-4-8-33(2)12-14)20(26)21(31-19)18-7-6-17(28)22(27)32-18/h6-7,9-11,14H,3-5,8,12,28H2,1-2H3,(H,30,34)/t14-/m0/s1
• InChIKey: NSTBDYANETZODB-AWEZNQCLSA-N
• XLogP: 3.43
• TPSA: 106.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.50
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-fluoro-2-pyridinyl)-6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide?

The IUPAC name of 2-(5-amino-6-fluoro-2-pyridinyl)-6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide (CID 178093334) is 2-(5-amino-6-fluoro-2-pyridinyl)-6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide.

What is the SMILES notation for 2-(5-amino-6-fluoro-2-pyridinyl)-6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide?

The canonical SMILES for 2-(5-amino-6-fluoro-2-pyridinyl)-6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide is CCOc1ncc(-c2cc(C(=O)N[C@H]3CCCN(C)C3)c(F)c(-c3ccc(N)c(F)n3)n2)cc1F.

What is the InChIKey of 2-(5-amino-6-fluoro-2-pyridinyl)-6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide?

The InChIKey is NSTBDYANETZODB-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-3-35-24-16(25)9-13(11-29-24)19-10-15(23(34)30-14-5-4-8-33(2)12-14)20(26)21(31-19)18-7-6-17(28)22(27)32-18/h6-7,9-11,14H,3-5,8,12,28H2,1-2H3,(H,30,34)/t14-/m0/s1.

What are the key properties of 2-(5-amino-6-fluoro-2-pyridinyl)-6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide?

2-(5-amino-6-fluoro-2-pyridinyl)-6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide has a molecular weight of 486.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-amino-6-fluoro-2-pyridinyl)-6-(6-ethoxy-5-fluoro-3-pyridinyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 178093334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).