4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide

C24H23FN6O2 — CID 118046092

About 4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide

4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide (PubChem CID 118046092) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide
• PubChem CID: 118046092
• Molecular Formula: C24H23FN6O2
• Molecular Weight: 446.49 g/mol
• Exact Mass: 446.19
• IUPAC Name: 4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide
• SMILES: Cc1cccc(C(CO)NC(=O)c2ccc(-c3cc(-c4cnnn4C)cnc3N)cc2F)c1
• InChI: InChI=1S/C24H23FN6O2/c1-14-4-3-5-16(8-14)21(13-32)29-24(33)18-7-6-15(10-20(18)25)19-9-17(11-27-23(19)26)22-12-28-30-31(22)2/h3-12,21,32H,13H2,1-2H3,(H2,26,27)(H,29,33)
• InChIKey: SRURPYCNSXAQHN-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 118.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.49
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide?

The IUPAC name of 4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide (CID 118046092) is 4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide.

What is the SMILES notation for 4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide?

The canonical SMILES for 4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide is Cc1cccc(C(CO)NC(=O)c2ccc(-c3cc(-c4cnnn4C)cnc3N)cc2F)c1.

What is the InChIKey of 4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide?

The InChIKey is SRURPYCNSXAQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-14-4-3-5-16(8-14)21(13-32)29-24(33)18-7-6-15(10-20(18)25)19-9-17(11-27-23(19)26)22-12-28-30-31(22)2/h3-12,21,32H,13H2,1-2H3,(H2,26,27)(H,29,33).

What are the key properties of 4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide?

4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide has a molecular weight of 446.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-amino-5-(3-methyltriazol-4-yl)-3-pyridinyl]-2-fluoro-N-[2-hydroxy-1-(3-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 118046092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).