(2S)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide

C172H182F6N32O6 — CID 167610400

About (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide

(2S)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide (PubChem CID 167610400) has the molecular formula C172H182F6N32O6 and a molecular weight of 2907.55 g/mol. Its IUPAC name is (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
• PubChem CID: 167610400
• Molecular Formula: C172H182F6N32O6
• Molecular Weight: 2907.55 g/mol
• Exact Mass: 2905.48
• IUPAC Name: (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
• SMILES: CCCCCCc1cccc([C@@H](NCCc2ccc(C#N)cc2)C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c1.CCCCCCc1cccc([C@H](NCCc2ccc(C#N)cc2)C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccc(C)cc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cccc(C(F)(F)F)c2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccc(C)cc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cccc(C(F)(F)F)c2)cc1
• InChI: InChI=1S/2C32H36N6O.2C27H26F3N5O.2C27H29N5O/c2*1-3-4-5-6-8-25-9-7-10-27(19-25)31(34-18-17-24-11-13-26(20-33)14-12-24)32(39)37-30-16-15-28(21-35-30)29-22-36-38(2)23-29;2*1-18-6-8-19(9-7-18)12-13-31-25(20-4-3-5-23(14-20)27(28,29)30)26(36)34-24-11-10-21(15-32-24)22-16-33-35(2)17-22;2*1-19-4-8-21(9-5-19)14-15-28-26(22-10-6-20(2)7-11-22)27(33)31-25-13-12-23(16-29-25)24-17-30-32(3)18-24/h2*7,9-16,19,21-23,31,34H,3-6,8,17-18H2,1-2H3,(H,35,37,39);2*3-11,14-17,25,31H,12-13H2,1-2H3,(H,32,34,36);2*4-13,16-18,26,28H,14-15H2,1-3H3,(H,29,31,33)/t2*31-;2*25-;2*26-/m101010/s1
• InChIKey: KYRRXMDKFSADIR-RNERDAAESA-N
• XLogP: 31.84
• TPSA: 478.62 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 58
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2907.55
LogP ≤ 5	31.84
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?

The IUPAC name of (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide (CID 167610400) is (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?

The canonical SMILES for (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide is CCCCCCc1cccc([C@@H](NCCc2ccc(C#N)cc2)C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c1.CCCCCCc1cccc([C@H](NCCc2ccc(C#N)cc2)C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccc(C)cc2)cc1.Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cccc(C(F)(F)F)c2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2ccc(C)cc2)cc1.Cc1ccc(CCN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cccc(C(F)(F)F)c2)cc1.

What is the InChIKey of (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?

The InChIKey is KYRRXMDKFSADIR-RNERDAAESA-N. The full InChI is InChI=1S/2C32H36N6O.2C27H26F3N5O.2C27H29N5O/c2*1-3-4-5-6-8-25-9-7-10-27(19-25)31(34-18-17-24-11-13-26(20-33)14-12-24)32(39)37-30-16-15-28(21-35-30)29-22-36-38(2)23-29;2*1-18-6-8-19(9-7-18)12-13-31-25(20-4-3-5-23(14-20)27(28,29)30)26(36)34-24-11-10-21(15-32-24)22-16-33-35(2)17-22;2*1-19-4-8-21(9-5-19)14-15-28-26(22-10-6-20(2)7-11-22)27(33)31-25-13-12-23(16-29-25)24-17-30-32(3)18-24/h2*7,9-16,19,21-23,31,34H,3-6,8,17-18H2,1-2H3,(H,35,37,39);2*3-11,14-17,25,31H,12-13H2,1-2H3,(H,32,34,36);2*4-13,16-18,26,28H,14-15H2,1-3H3,(H,29,31,33)/t2*31-;2*25-;2*26-/m101010/s1.

What are the key properties of (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide?

(2S)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide has a molecular weight of 2907.55 g/mol, XLogP of 31.84, 58 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-cyanophenyl)ethylamino]-2-(3-hexylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide;(2S)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(4-methylphenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 167610400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).