5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid

C23H21FN6O2 — CID 15658044

About 5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid

5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid (PubChem CID 15658044) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
• PubChem CID: 15658044
• Molecular Formula: C23H21FN6O2
• Molecular Weight: 432.46 g/mol
• Exact Mass: 432.17
• IUPAC Name: 5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid
• SMILES: CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncc(F)cc1C(=O)O
• InChI: InChI=1S/C23H21FN6O2/c1-2-11-30(22-20(23(31)32)12-17(24)13-25-22)14-15-7-9-16(10-8-15)18-5-3-4-6-19(18)21-26-28-29-27-21/h3-10,12-13H,2,11,14H2,1H3,(H,31,32)(H,26,27,28,29)
• InChIKey: BBGNUQCNZXJBOR-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 107.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.46
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?

The IUPAC name of 5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid (CID 15658044) is 5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid.

What is the SMILES notation for 5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?

The canonical SMILES for 5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid is CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ncc(F)cc1C(=O)O.

What is the InChIKey of 5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?

The InChIKey is BBGNUQCNZXJBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-2-11-30(22-20(23(31)32)12-17(24)13-25-22)14-15-7-9-16(10-8-15)18-5-3-4-6-19(18)21-26-28-29-27-21/h3-10,12-13H,2,11,14H2,1H3,(H,31,32)(H,26,27,28,29).

What are the key properties of 5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid?

5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 432.46 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 15658044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).