3-(3-cyano-6-methyl-2-pyridinyl)-5-fluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide

C19H17FN6O — CID 169420324

About 3-(3-cyano-6-methyl-2-pyridinyl)-5-fluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide

3-(3-cyano-6-methyl-2-pyridinyl)-5-fluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide (PubChem CID 169420324) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 3-(3-cyano-6-methyl-2-pyridinyl)-5-fluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-(3-cyano-6-methyl-2-pyridinyl)-5-fluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
• PubChem CID: 169420324
• Molecular Formula: C19H17FN6O
• Molecular Weight: 364.38 g/mol
• Exact Mass: 364.14
• IUPAC Name: 3-(3-cyano-6-methyl-2-pyridinyl)-5-fluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
• SMILES: Cc1ccc(C#N)c(-c2cc(F)cc(C(=O)NC(C)Cn3cncn3)c2)n1
• InChI: InChI=1S/C19H17FN6O/c1-12-3-4-14(8-21)18(24-12)15-5-16(7-17(20)6-15)19(27)25-13(2)9-26-11-22-10-23-26/h3-7,10-11,13H,9H2,1-2H3,(H,25,27)
• InChIKey: DZQPQHIPGXHALQ-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 96.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.38
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-6-methyl-2-pyridinyl)-5-fluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?

The IUPAC name of 3-(3-cyano-6-methyl-2-pyridinyl)-5-fluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide (CID 169420324) is 3-(3-cyano-6-methyl-2-pyridinyl)-5-fluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide.

What is the SMILES notation for 3-(3-cyano-6-methyl-2-pyridinyl)-5-fluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?

The canonical SMILES for 3-(3-cyano-6-methyl-2-pyridinyl)-5-fluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide is Cc1ccc(C#N)c(-c2cc(F)cc(C(=O)NC(C)Cn3cncn3)c2)n1.

What is the InChIKey of 3-(3-cyano-6-methyl-2-pyridinyl)-5-fluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?

The InChIKey is DZQPQHIPGXHALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-12-3-4-14(8-21)18(24-12)15-5-16(7-17(20)6-15)19(27)25-13(2)9-26-11-22-10-23-26/h3-7,10-11,13H,9H2,1-2H3,(H,25,27).

What are the key properties of 3-(3-cyano-6-methyl-2-pyridinyl)-5-fluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide?

3-(3-cyano-6-methyl-2-pyridinyl)-5-fluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide has a molecular weight of 364.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-cyano-6-methyl-2-pyridinyl)-5-fluoro-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide is sourced from PubChem (CID 169420324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).