(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(2-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide

C108H132Cl2F6N20O12 — CID 157197657

About (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(2-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(2-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide (PubChem CID 157197657) has the molecular formula C108H132Cl2F6N20O12 and a molecular weight of 2087.27 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(2-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide.

Molecular Properties

• Compound Name: (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(2-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide
• PubChem CID: 157197657
• Molecular Formula: C108H132Cl2F6N20O12
• Molecular Weight: 2087.27 g/mol
• Exact Mass: 2084.96
• IUPAC Name: (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(2-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide
• SMILES: CCN(C(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F)c1ccccc1.CC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ccccc1)C1CCCCC1.CC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ccccc1C)C1CCCCC1.CN(C(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F)c1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C28H37N5O3.C27H32F3N5O3.C27H35N5O3.C26H28Cl2F3N5O3/c1-4-22(20-11-6-5-7-12-20)31-28(36)33-25(27(35)32(3)23-13-9-8-10-18(23)2)21(26(33)34)16-19-14-15-30-24(29)17-19;1-2-34(19-11-7-4-8-12-19)25(37)22-20(15-17-13-14-32-21(31)16-17)24(36)35(22)26(38)33-23(27(28,29)30)18-9-5-3-6-10-18;1-3-22(19-10-6-4-7-11-19)30-27(35)32-24(26(34)31(2)20-12-8-5-9-13-20)21(25(32)33)16-18-14-15-29-23(28)17-18;1-35(18-12-16(27)11-17(28)13-18)24(38)21-19(9-14-7-8-33-20(32)10-14)23(37)36(21)25(39)34-22(26(29,30)31)15-5-3-2-4-6-15/h8-10,13-15,17,20-22,25H,4-7,11-12,16H2,1-3H3,(H2,29,30)(H,31,36);4,7-8,11-14,16,18,20,22-23H,2-3,5-6,9-10,15H2,1H3,(H2,31,32)(H,33,38);5,8-9,12-15,17,19,21-22,24H,3-4,6-7,10-11,16H2,1-2H3,(H2,28,29)(H,30,35);7-8,10-13,15,19,21-22H,2-6,9H2,1H3,(H2,32,33)(H,34,39)/t21-,22-,25+;20-,22+,23+;21-,22-,24+;19-,21+,22+/m1111/s1
• InChIKey: AQKYCDMZMVQQOO-LPSBEKLMSA-N
• XLogP: 17.37
• TPSA: 434.52 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 27
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2087.27
LogP ≤ 5	17.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(2-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide?

The IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(2-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide (CID 157197657) is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(2-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide.

What is the SMILES notation for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(2-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide?

The canonical SMILES for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(2-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide is CCN(C(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F)c1ccccc1.CC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ccccc1)C1CCCCC1.CC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1ccccc1C)C1CCCCC1.CN(C(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F)c1cc(Cl)cc(Cl)c1.

What is the InChIKey of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(2-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide?

The InChIKey is AQKYCDMZMVQQOO-LPSBEKLMSA-N. The full InChI is InChI=1S/C28H37N5O3.C27H32F3N5O3.C27H35N5O3.C26H28Cl2F3N5O3/c1-4-22(20-11-6-5-7-12-20)31-28(36)33-25(27(35)32(3)23-13-9-8-10-18(23)2)21(26(33)34)16-19-14-15-30-24(29)17-19;1-2-34(19-11-7-4-8-12-19)25(37)22-20(15-17-13-14-32-21(31)16-17)24(36)35(22)26(38)33-23(27(28,29)30)18-9-5-3-6-10-18;1-3-22(19-10-6-4-7-11-19)30-27(35)32-24(26(34)31(2)20-12-8-5-9-13-20)21(25(32)33)16-18-14-15-29-23(28)17-18;1-35(18-12-16(27)11-17(28)13-18)24(38)21-19(9-14-7-8-33-20(32)10-14)23(37)36(21)25(39)34-22(26(29,30)31)15-5-3-2-4-6-15/h8-10,13-15,17,20-22,25H,4-7,11-12,16H2,1-3H3,(H2,29,30)(H,31,36);4,7-8,11-14,16,18,20,22-23H,2-3,5-6,9-10,15H2,1H3,(H2,31,32)(H,33,38);5,8-9,12-15,17,19,21-22,24H,3-4,6-7,10-11,16H2,1-2H3,(H2,28,29)(H,30,35);7-8,10-13,15,19,21-22H,2-6,9H2,1H3,(H2,32,33)(H,34,39)/t21-,22-,25+;20-,22+,23+;21-,22-,24+;19-,21+,22+/m1111/s1.

What are the key properties of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(2-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide?

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(2-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide has a molecular weight of 2087.27 g/mol, XLogP of 17.37, 27 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-2-N-(2-methylphenyl)-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-methyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(3,5-dichlorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide is sourced from PubChem (CID 157197657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).