(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-cyclopropyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methoxy-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(4-methoxyphenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-1-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-4-oxo-1-N-[(1R)-1-phenylethyl]azetidine-1,2-dicarboxamide

C115H138F9N25O17 — CID 157241560

About (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-cyclopropyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methoxy-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(4-methoxyphenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-1-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-4-oxo-1-N-[(1R)-1-phenylethyl]azetidine-1,2-dicarboxamide

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-cyclopropyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methoxy-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(4-methoxyphenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-1-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-4-oxo-1-N-[(1R)-1-phenylethyl]azetidine-1,2-dicarboxamide (PubChem CID 157241560) has the molecular formula C115H138F9N25O17 and a molecular weight of 2313.51 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-cyclopropyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methoxy-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(4-methoxyphenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-1-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-4-oxo-1-N-[(1R)-1-phenylethyl]azetidine-1,2-dicarboxamide.

Molecular Properties

• Compound Name: (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-cyclopropyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methoxy-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(4-methoxyphenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-1-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-4-oxo-1-N-[(1R)-1-phenylethyl]azetidine-1,2-dicarboxamide
• PubChem CID: 157241560
• Molecular Formula: C115H138F9N25O17
• Molecular Weight: 2313.51 g/mol
• Exact Mass: 2312.06
• IUPAC Name: (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-cyclopropyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methoxy-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(4-methoxyphenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-1-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-4-oxo-1-N-[(1R)-1-phenylethyl]azetidine-1,2-dicarboxamide
• SMILES: CCNC(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)N[C@H](C)c1cccc2ccccc12.CCNC(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)N[C@H](C)c1ccccc1.CONC(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F.COc1ccc(N(C)C(=O)[C@@H]2[C@@H](Cc3ccnc(N)c3)C(=O)N2C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)cc1.Nc1cc(C[C@H]2C(=O)N(C(=O)N[C@@H](C3CCCCC3)C(F)(F)F)[C@@H]2C(=O)NC2CC2)ccn1
• InChI: InChI=1S/C27H32F3N5O4.C25H27N5O3.C22H28F3N5O3.C21H25N5O3.C20H26F3N5O4/c1-34(18-8-10-19(39-2)11-9-18)25(37)22-20(14-16-12-13-32-21(31)15-16)24(36)35(22)26(38)33-23(27(28,29)30)17-6-4-3-5-7-17;1-3-27-23(31)22-20(13-16-11-12-28-21(26)14-16)24(32)30(22)25(33)29-15(2)18-10-6-8-17-7-4-5-9-19(17)18;23-22(24,25)18(13-4-2-1-3-5-13)29-21(33)30-17(19(31)28-14-6-7-14)15(20(30)32)10-12-8-9-27-16(26)11-12;1-3-23-19(27)18-16(11-14-9-10-24-17(22)12-14)20(28)26(18)21(29)25-13(2)15-7-5-4-6-8-15;1-32-27-17(29)15-13(9-11-7-8-25-14(24)10-11)18(30)28(15)19(31)26-16(20(21,22)23)12-5-3-2-4-6-12/h8-13,15,17,20,22-23H,3-7,14H2,1-2H3,(H2,31,32)(H,33,38);4-12,14-15,20,22H,3,13H2,1-2H3,(H2,26,28)(H,27,31)(H,29,33);8-9,11,13-15,17-18H,1-7,10H2,(H2,26,27)(H,28,31)(H,29,33);4-10,12-13,16,18H,3,11H2,1-2H3,(H2,22,24)(H,23,27)(H,25,29);7-8,10,12-13,15-16H,2-6,9H2,1H3,(H2,24,25)(H,26,31)(H,27,29)/t20-,22+,23+;15-,20-,22+;15-,17+,18+;13-,16-,18+;13-,15+,16+/m11111/s1
• InChIKey: AVGWNEKSBYHSRA-GODASOFKSA-N
• XLogP: 12.82
• TPSA: 596.77 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 27
• Rotatable Bonds: 31
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2313.51
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-cyclopropyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methoxy-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(4-methoxyphenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-1-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-4-oxo-1-N-[(1R)-1-phenylethyl]azetidine-1,2-dicarboxamide?

The IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-cyclopropyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methoxy-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(4-methoxyphenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-1-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-4-oxo-1-N-[(1R)-1-phenylethyl]azetidine-1,2-dicarboxamide (CID 157241560) is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-cyclopropyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methoxy-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(4-methoxyphenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-1-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-4-oxo-1-N-[(1R)-1-phenylethyl]azetidine-1,2-dicarboxamide.

What is the SMILES notation for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-cyclopropyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methoxy-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(4-methoxyphenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-1-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-4-oxo-1-N-[(1R)-1-phenylethyl]azetidine-1,2-dicarboxamide?

The canonical SMILES for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-cyclopropyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methoxy-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(4-methoxyphenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-1-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-4-oxo-1-N-[(1R)-1-phenylethyl]azetidine-1,2-dicarboxamide is CCNC(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)N[C@H](C)c1cccc2ccccc12.CCNC(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)N[C@H](C)c1ccccc1.CONC(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F.COc1ccc(N(C)C(=O)[C@@H]2[C@@H](Cc3ccnc(N)c3)C(=O)N2C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)cc1.Nc1cc(C[C@H]2C(=O)N(C(=O)N[C@@H](C3CCCCC3)C(F)(F)F)[C@@H]2C(=O)NC2CC2)ccn1.

What is the InChIKey of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-cyclopropyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methoxy-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(4-methoxyphenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-1-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-4-oxo-1-N-[(1R)-1-phenylethyl]azetidine-1,2-dicarboxamide?

The InChIKey is AVGWNEKSBYHSRA-GODASOFKSA-N. The full InChI is InChI=1S/C27H32F3N5O4.C25H27N5O3.C22H28F3N5O3.C21H25N5O3.C20H26F3N5O4/c1-34(18-8-10-19(39-2)11-9-18)25(37)22-20(14-16-12-13-32-21(31)15-16)24(36)35(22)26(38)33-23(27(28,29)30)17-6-4-3-5-7-17;1-3-27-23(31)22-20(13-16-11-12-28-21(26)14-16)24(32)30(22)25(33)29-15(2)18-10-6-8-17-7-4-5-9-19(17)18;23-22(24,25)18(13-4-2-1-3-5-13)29-21(33)30-17(19(31)28-14-6-7-14)15(20(30)32)10-12-8-9-27-16(26)11-12;1-3-23-19(27)18-16(11-14-9-10-24-17(22)12-14)20(28)26(18)21(29)25-13(2)15-7-5-4-6-8-15;1-32-27-17(29)15-13(9-11-7-8-25-14(24)10-11)18(30)28(15)19(31)26-16(20(21,22)23)12-5-3-2-4-6-12/h8-13,15,17,20,22-23H,3-7,14H2,1-2H3,(H2,31,32)(H,33,38);4-12,14-15,20,22H,3,13H2,1-2H3,(H2,26,28)(H,27,31)(H,29,33);8-9,11,13-15,17-18H,1-7,10H2,(H2,26,27)(H,28,31)(H,29,33);4-10,12-13,16,18H,3,11H2,1-2H3,(H2,22,24)(H,23,27)(H,25,29);7-8,10,12-13,15-16H,2-6,9H2,1H3,(H2,24,25)(H,26,31)(H,27,29)/t20-,22+,23+;15-,20-,22+;15-,17+,18+;13-,16-,18+;13-,15+,16+/m11111/s1.

What are the key properties of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-cyclopropyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methoxy-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(4-methoxyphenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-1-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-4-oxo-1-N-[(1R)-1-phenylethyl]azetidine-1,2-dicarboxamide?

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-cyclopropyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methoxy-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(4-methoxyphenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-1-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-4-oxo-1-N-[(1R)-1-phenylethyl]azetidine-1,2-dicarboxamide has a molecular weight of 2313.51 g/mol, XLogP of 12.82, 31 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-cyclopropyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methoxy-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-(4-methoxyphenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-1-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-N-ethyl-4-oxo-1-N-[(1R)-1-phenylethyl]azetidine-1,2-dicarboxamide is sourced from PubChem (CID 157241560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).