(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-ethyl-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-ethyl-2-N-(2-methyl-4-pyridinyl)-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-pyridin-4-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrazin-2-ylazetidine-1,2-dicarboxamide

C105H129F9N24O12 — CID 160880031

About (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-ethyl-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-ethyl-2-N-(2-methyl-4-pyridinyl)-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-pyridin-4-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrazin-2-ylazetidine-1,2-dicarboxamide

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-ethyl-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-ethyl-2-N-(2-methyl-4-pyridinyl)-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-pyridin-4-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrazin-2-ylazetidine-1,2-dicarboxamide (PubChem CID 160880031) has the molecular formula C105H129F9N24O12 and a molecular weight of 2090.32 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-ethyl-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-ethyl-2-N-(2-methyl-4-pyridinyl)-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-pyridin-4-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrazin-2-ylazetidine-1,2-dicarboxamide.

Molecular Properties

• Compound Name: (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-ethyl-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-ethyl-2-N-(2-methyl-4-pyridinyl)-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-pyridin-4-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrazin-2-ylazetidine-1,2-dicarboxamide
• PubChem CID: 160880031
• Molecular Formula: C105H129F9N24O12
• Molecular Weight: 2090.32 g/mol
• Exact Mass: 2089.01
• IUPAC Name: (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-ethyl-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-ethyl-2-N-(2-methyl-4-pyridinyl)-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-pyridin-4-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrazin-2-ylazetidine-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)c1ccnc(C)c1.CCN(C(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F)c1ccncc1.CC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(CC)c1ccccc1)C1CCCCC1.CN(C(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F)c1cnccn1
• InChI: InChI=1S/C28H37N5O3.C27H33F3N6O3.C26H31F3N6O3.C24H28F3N7O3/c1-3-23(20-11-7-5-8-12-20)31-28(36)33-25(27(35)32(4-2)21-13-9-6-10-14-21)22(26(33)34)17-19-15-16-30-24(29)18-19;1-3-35(19-10-12-32-16(2)13-19)25(38)22-20(14-17-9-11-33-21(31)15-17)24(37)36(22)26(39)34-23(27(28,29)30)18-7-5-4-6-8-18;1-2-34(18-9-11-31-12-10-18)24(37)21-19(14-16-8-13-32-20(30)15-16)23(36)35(21)25(38)33-22(26(27,28)29)17-6-4-3-5-7-17;1-33(18-13-29-9-10-31-18)22(36)19-16(11-14-7-8-30-17(28)12-14)21(35)34(19)23(37)32-20(24(25,26)27)15-5-3-2-4-6-15/h6,9-10,13-16,18,20,22-23,25H,3-5,7-8,11-12,17H2,1-2H3,(H2,29,30)(H,31,36);9-13,15,18,20,22-23H,3-8,14H2,1-2H3,(H2,31,33)(H,34,39);8-13,15,17,19,21-22H,2-7,14H2,1H3,(H2,30,32)(H,33,38);7-10,12-13,15-16,19-20H,2-6,11H2,1H3,(H2,28,30)(H,32,37)/t22-,23-,25+;20-,22+,23+;19-,21+,22+;16-,19+,20+/m1111/s1
• InChIKey: SMXHIFBRWSGGQQ-YSZCYMQISA-N
• XLogP: 14.57
• TPSA: 486.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2090.32
LogP ≤ 5	14.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-ethyl-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-ethyl-2-N-(2-methyl-4-pyridinyl)-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-pyridin-4-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrazin-2-ylazetidine-1,2-dicarboxamide?

The IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-ethyl-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-ethyl-2-N-(2-methyl-4-pyridinyl)-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-pyridin-4-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrazin-2-ylazetidine-1,2-dicarboxamide (CID 160880031) is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-ethyl-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-ethyl-2-N-(2-methyl-4-pyridinyl)-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-pyridin-4-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrazin-2-ylazetidine-1,2-dicarboxamide.

What is the SMILES notation for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-ethyl-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-ethyl-2-N-(2-methyl-4-pyridinyl)-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-pyridin-4-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrazin-2-ylazetidine-1,2-dicarboxamide?

The canonical SMILES for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-ethyl-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-ethyl-2-N-(2-methyl-4-pyridinyl)-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-pyridin-4-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrazin-2-ylazetidine-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)c1ccnc(C)c1.CCN(C(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F)c1ccncc1.CC[C@@H](NC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(CC)c1ccccc1)C1CCCCC1.CN(C(=O)[C@@H]1[C@@H](Cc2ccnc(N)c2)C(=O)N1C(=O)N[C@@H](C1CCCCC1)C(F)(F)F)c1cnccn1.

What is the InChIKey of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-ethyl-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-ethyl-2-N-(2-methyl-4-pyridinyl)-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-pyridin-4-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrazin-2-ylazetidine-1,2-dicarboxamide?

The InChIKey is SMXHIFBRWSGGQQ-YSZCYMQISA-N. The full InChI is InChI=1S/C28H37N5O3.C27H33F3N6O3.C26H31F3N6O3.C24H28F3N7O3/c1-3-23(20-11-7-5-8-12-20)31-28(36)33-25(27(35)32(4-2)21-13-9-6-10-14-21)22(26(33)34)17-19-15-16-30-24(29)18-19;1-3-35(19-10-12-32-16(2)13-19)25(38)22-20(14-17-9-11-33-21(31)15-17)24(37)36(22)26(39)34-23(27(28,29)30)18-7-5-4-6-8-18;1-2-34(18-9-11-31-12-10-18)24(37)21-19(14-16-8-13-32-20(30)15-16)23(36)35(21)25(38)33-22(26(27,28)29)17-6-4-3-5-7-17;1-33(18-13-29-9-10-31-18)22(36)19-16(11-14-7-8-30-17(28)12-14)21(35)34(19)23(37)32-20(24(25,26)27)15-5-3-2-4-6-15/h6,9-10,13-16,18,20,22-23,25H,3-5,7-8,11-12,17H2,1-2H3,(H2,29,30)(H,31,36);9-13,15,18,20,22-23H,3-8,14H2,1-2H3,(H2,31,33)(H,34,39);8-13,15,17,19,21-22H,2-7,14H2,1H3,(H2,30,32)(H,33,38);7-10,12-13,15-16,19-20H,2-6,11H2,1H3,(H2,28,30)(H,32,37)/t22-,23-,25+;20-,22+,23+;19-,21+,22+;16-,19+,20+/m1111/s1.

What are the key properties of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-ethyl-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-ethyl-2-N-(2-methyl-4-pyridinyl)-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-pyridin-4-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrazin-2-ylazetidine-1,2-dicarboxamide?

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1R)-1-cyclohexylpropyl]-2-N-ethyl-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-ethyl-2-N-(2-methyl-4-pyridinyl)-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-pyridin-4-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrazin-2-ylazetidine-1,2-dicarboxamide has a molecular weight of 2090.32 g/mol, XLogP of 14.57, 28 rotatable bonds, 8 hydrogen bond donors, and 24 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-ethyl-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-ethyl-2-N-(2-methyl-4-pyridinyl)-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-pyridin-4-ylazetidine-1,2-dicarboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-methyl-4-oxo-2-N-pyrazin-2-ylazetidine-1,2-dicarboxamide is sourced from PubChem (CID 160880031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).