N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide

C19H20F2N6O2 — CID 159703202

About N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide

N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide (PubChem CID 159703202) has the molecular formula C19H20F2N6O2 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 159703202
• Molecular Formula: C19H20F2N6O2
• Molecular Weight: 402.41 g/mol
• Exact Mass: 402.16
• IUPAC Name: N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide
• SMILES: CCN(C(=O)c1cc(F)cnc1-n1nccn1)[C@@H](C)COc1ncc(C)cc1F
• InChI: InChI=1S/C19H20F2N6O2/c1-4-26(13(3)11-29-18-16(21)7-12(2)9-23-18)19(28)15-8-14(20)10-22-17(15)27-24-5-6-25-27/h5-10,13H,4,11H2,1-3H3/t13-/m0/s1
• InChIKey: HGKMHBHRHYQBCQ-ZDUSSCGKSA-N
• XLogP: 2.57
• TPSA: 86.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.41
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide?

The IUPAC name of N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide (CID 159703202) is N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide?

The canonical SMILES for N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide is CCN(C(=O)c1cc(F)cnc1-n1nccn1)[C@@H](C)COc1ncc(C)cc1F.

What is the InChIKey of N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide?

The InChIKey is HGKMHBHRHYQBCQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20F2N6O2/c1-4-26(13(3)11-29-18-16(21)7-12(2)9-23-18)19(28)15-8-14(20)10-22-17(15)27-24-5-6-25-27/h5-10,13H,4,11H2,1-3H3/t13-/m0/s1.

What are the key properties of N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide?

N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide has a molecular weight of 402.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-5-fluoro-N-[(2S)-1-[(3-fluoro-5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-(triazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 159703202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).