N-[2-[cyclohexyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]-2-(2-fluorophenyl)acetamide

C27H28FN7O — CID 158274303

About N-[2-[cyclohexyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]-2-(2-fluorophenyl)acetamide

N-[2-[cyclohexyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]-2-(2-fluorophenyl)acetamide (PubChem CID 158274303) has the molecular formula C27H28FN7O and a molecular weight of 485.57 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[cyclohexyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]-2-(2-fluorophenyl)acetamide
• PubChem CID: 158274303
• Molecular Formula: C27H28FN7O
• Molecular Weight: 485.57 g/mol
• Exact Mass: 485.23
• IUPAC Name: N-[2-[cyclohexyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]-2-(2-fluorophenyl)acetamide
• SMILES: CN(c1ncc(-c2ccccc2-c2nn[nH]n2)cc1NC(=O)Cc1ccccc1F)C1CCCCC1
• InChI: InChI=1S/C27H28FN7O/c1-35(20-10-3-2-4-11-20)27-24(30-25(36)16-18-9-5-8-14-23(18)28)15-19(17-29-27)21-12-6-7-13-22(21)26-31-33-34-32-26/h5-9,12-15,17,20H,2-4,10-11,16H2,1H3,(H,30,36)(H,31,32,33,34)
• InChIKey: JFUJLNPTWHZRGK-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 99.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.57
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]-2-(2-fluorophenyl)acetamide?

The IUPAC name of N-[2-[cyclohexyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]-2-(2-fluorophenyl)acetamide (CID 158274303) is N-[2-[cyclohexyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]-2-(2-fluorophenyl)acetamide.

What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]-2-(2-fluorophenyl)acetamide?

The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]-2-(2-fluorophenyl)acetamide is CN(c1ncc(-c2ccccc2-c2nn[nH]n2)cc1NC(=O)Cc1ccccc1F)C1CCCCC1.

What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]-2-(2-fluorophenyl)acetamide?

The InChIKey is JFUJLNPTWHZRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN7O/c1-35(20-10-3-2-4-11-20)27-24(30-25(36)16-18-9-5-8-14-23(18)28)15-19(17-29-27)21-12-6-7-13-22(21)26-31-33-34-32-26/h5-9,12-15,17,20H,2-4,10-11,16H2,1H3,(H,30,36)(H,31,32,33,34).

What are the key properties of N-[2-[cyclohexyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]-2-(2-fluorophenyl)acetamide?

N-[2-[cyclohexyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 485.57 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[cyclohexyl(methyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]-3-pyridinyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 158274303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).