(2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C249H264F3N47O9 — CID 157297860

IUPAC(2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cccc(C#N)c2)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)c2cccc(C#N)c2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2cc(C)c(-c3cnn(C)c3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cn(C)nc3C)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3C)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2cc(C)c(-c3cnn(C)c3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cn(C)nc3C)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3C)cn2)c2ccccc2)cc1
InChIInChI=1S/6C28H31N5O.C27H26F3N5O.2C27H26N6O/c2*1-19-10-12-22(13-11-19)21(3)15-30-27(23-8-6-5-7-9-23)28(34)32-26-14-20(2)25(17-29-26)24-16-31-33(4)18-24;2*1-19-10-12-22(13-11-19)20(2)16-30-27(23-8-6-5-7-9-23)28(34)31-26-15-14-24(17-29-26)25-18-33(4)32-21(25)3;2*1-19-10-12-22(13-11-19)20(2)16-30-27(23-8-6-5-7-9-23)28(34)32-26-15-14-24(17-29-26)25-18-31-33(4)21(25)3;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*1-19-6-8-20(9-7-19)12-13-29-26(22-5-3-4-21(14-22)15-28)27(34)32-25-11-10-23(16-30-25)24-17-31-33(2)18-24/h2*5-14,16-18,21,27,30H,15H2,1-4H3,(H,29,32,34);2*5-15,17-18,20,27,30H,16H2,1-4H3,(H,29,31,34);2*5-15,17-18,20,27,30H,16H2,1-4H3,(H,29,32,34);3-11,14-17,25,31H,12-13H2,1-2H3,(H,32,34,36);2*3-11,14,16-18,26,29H,12-13H2,1-2H3,(H,30,32,34)/t21-,27+;21-,27-;20-,27+;20-,27-;20-,27+;20-,27-;25-;2*26-/m111111110/s1
InChIKeyBBNYGTZYVUHUEK-JSAUKICYSA-N
MW4116.16 g/mol
LogP44.70
Rot. Bonds72

About (2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide

(2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 157297860) has the molecular formula C249H264F3N47O9 and a molecular weight of 4116.16 g/mol. Its IUPAC name is (2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID157297860
Molecular FormulaC249H264F3N47O9
Molecular Weight4116.16 g/mol
Exact Mass4113.16
IUPAC Name(2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cccc(C#N)c2)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)c2cccc(C#N)c2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2cc(C)c(-c3cnn(C)c3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cn(C)nc3C)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3C)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2cc(C)c(-c3cnn(C)c3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cn(C)nc3C)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3C)cn2)c2ccccc2)cc1
InChIInChI=1S/6C28H31N5O.C27H26F3N5O.2C27H26N6O/c2*1-19-10-12-22(13-11-19)21(3)15-30-27(23-8-6-5-7-9-23)28(34)32-26-14-20(2)25(17-29-26)24-16-31-33(4)18-24;2*1-19-10-12-22(13-11-19)20(2)16-30-27(23-8-6-5-7-9-23)28(34)31-26-15-14-24(17-29-26)25-18-33(4)32-21(25)3;2*1-19-10-12-22(13-11-19)20(2)16-30-27(23-8-6-5-7-9-23)28(34)32-26-15-14-24(17-29-26)25-18-31-33(4)21(25)3;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*1-19-6-8-20(9-7-19)12-13-29-26(22-5-3-4-21(14-22)15-28)27(34)32-25-11-10-23(16-30-25)24-17-31-33(2)18-24/h2*5-14,16-18,21,27,30H,15H2,1-4H3,(H,29,32,34);2*5-15,17-18,20,27,30H,16H2,1-4H3,(H,29,31,34);2*5-15,17-18,20,27,30H,16H2,1-4H3,(H,29,32,34);3-11,14-17,25,31H,12-13H2,1-2H3,(H,32,34,36);2*3-11,14,16-18,26,29H,12-13H2,1-2H3,(H,30,32,34)/t21-,27+;21-,27-;20-,27+;20-,27-;20-,27+;20-,27-;25-;2*26-/m111111110/s1
InChIKeyBBNYGTZYVUHUEK-JSAUKICYSA-N
XLogP44.70
TPSA694.14 Ų
H-Bond Donors18
H-Bond Acceptors47
Rotatable Bonds72
Heavy Atoms308
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004116.16
LogP ≤ 544.70
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1047

Analyze (2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of (2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 157297860) is (2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for (2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for (2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide is Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3)cn2)c2cccc(C#N)c2)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)c2cccc(C#N)c2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2cc(C)c(-c3cnn(C)c3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cn(C)nc3C)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@@H](C(=O)Nc2ccc(-c3cnn(C)c3C)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2cc(C)c(-c3cnn(C)c3)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cn(C)nc3C)cn2)c2ccccc2)cc1.Cc1ccc([C@H](C)CN[C@H](C(=O)Nc2ccc(-c3cnn(C)c3C)cn2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BBNYGTZYVUHUEK-JSAUKICYSA-N. The full InChI is InChI=1S/6C28H31N5O.C27H26F3N5O.2C27H26N6O/c2*1-19-10-12-22(13-11-19)21(3)15-30-27(23-8-6-5-7-9-23)28(34)32-26-14-20(2)25(17-29-26)24-16-31-33(4)18-24;2*1-19-10-12-22(13-11-19)20(2)16-30-27(23-8-6-5-7-9-23)28(34)31-26-15-14-24(17-29-26)25-18-33(4)32-21(25)3;2*1-19-10-12-22(13-11-19)20(2)16-30-27(23-8-6-5-7-9-23)28(34)32-26-15-14-24(17-29-26)25-18-31-33(4)21(25)3;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*1-19-6-8-20(9-7-19)12-13-29-26(22-5-3-4-21(14-22)15-28)27(34)32-25-11-10-23(16-30-25)24-17-31-33(2)18-24/h2*5-14,16-18,21,27,30H,15H2,1-4H3,(H,29,32,34);2*5-15,17-18,20,27,30H,16H2,1-4H3,(H,29,31,34);2*5-15,17-18,20,27,30H,16H2,1-4H3,(H,29,32,34);3-11,14-17,25,31H,12-13H2,1-2H3,(H,32,34,36);2*3-11,14,16-18,26,29H,12-13H2,1-2H3,(H,30,32,34)/t21-,27+;21-,27-;20-,27+;20-,27-;20-,27+;20-,27-;25-;2*26-/m111111110/s1.
What are the key properties of (2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
(2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 4116.16 g/mol, XLogP of 44.70, 72 rotatable bonds, 18 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,3-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[5-(1,5-dimethylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2S)-N-[4-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[[(2S)-2-(4-methylphenyl)propyl]amino]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 157297860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).