(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide

C26H28N6O — CID 157190903

About (2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide

(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide (PubChem CID 157190903) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide
• PubChem CID: 157190903
• Molecular Formula: C26H28N6O
• Molecular Weight: 440.55 g/mol
• Exact Mass: 440.23
• IUPAC Name: (2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide
• SMILES: Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)n3)cn2)c2ccccc2)cc1
• InChI: InChI=1S/C26H28N6O/c1-18-9-11-20(12-10-18)19(2)15-28-25(21-7-5-4-6-8-21)26(33)30-24-14-13-22(16-27-24)23-17-29-32(3)31-23/h4-14,16-17,19,25,28H,15H2,1-3H3,(H,27,30,33)/t19-,25+/m1/s1
• InChIKey: CCRBSGHDGSVFGN-CLOONOSVSA-N
• XLogP: 4.26
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.55
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide?

The IUPAC name of (2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide (CID 157190903) is (2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide.

What is the SMILES notation for (2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide?

The canonical SMILES for (2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide is Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)n3)cn2)c2ccccc2)cc1.

What is the InChIKey of (2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide?

The InChIKey is CCRBSGHDGSVFGN-CLOONOSVSA-N. The full InChI is InChI=1S/C26H28N6O/c1-18-9-11-20(12-10-18)19(2)15-28-25(21-7-5-4-6-8-21)26(33)30-24-14-13-22(16-27-24)23-17-29-32(3)31-23/h4-14,16-17,19,25,28H,15H2,1-3H3,(H,27,30,33)/t19-,25+/m1/s1.

What are the key properties of (2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide?

(2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide has a molecular weight of 440.55 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-N-[5-(2-methyltriazol-4-yl)-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 157190903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).