(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]-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

C68H80F3N15O9 — CID 160625070

IUPAC(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]-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
SMILESCCNC(=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.Nc1cc(C[C@H]2C(=O)N(C(=O)N[C@@H](C3CCCCC3)C(F)(F)F)[C@@H]2C(=O)NC2CC2)ccn1
InChIInChI=1S/C25H27N5O3.C22H28F3N5O3.C21H25N5O3/c1-3-27-23(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/h4-12,14-15,20,22H,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)/t15-,20-,22+;15-,17+,18+;13-,16-,18+/m111/s1
InChIKeyRHEQVIWFPYNZIK-QYPZKAJQSA-N
MW1308.48 g/mol
LogP6.97
Rot. Bonds18

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]-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]-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 160625070) has the molecular formula C68H80F3N15O9 and a molecular weight of 1308.48 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]-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]-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 CID160625070
Molecular FormulaC68H80F3N15O9
Molecular Weight1308.48 g/mol
Exact Mass1307.62
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]-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
SMILESCCNC(=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.Nc1cc(C[C@H]2C(=O)N(C(=O)N[C@@H](C3CCCCC3)C(F)(F)F)[C@@H]2C(=O)NC2CC2)ccn1
InChIInChI=1S/C25H27N5O3.C22H28F3N5O3.C21H25N5O3/c1-3-27-23(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/h4-12,14-15,20,22H,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)/t15-,20-,22+;15-,17+,18+;13-,16-,18+/m111/s1
InChIKeyRHEQVIWFPYNZIK-QYPZKAJQSA-N
XLogP6.97
TPSA352.26 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001308.48
LogP ≤ 56.97
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze (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]-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 with MolForge

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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]-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]-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 160625070) 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]-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]-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]-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.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]-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 RHEQVIWFPYNZIK-QYPZKAJQSA-N. The full InChI is InChI=1S/C25H27N5O3.C22H28F3N5O3.C21H25N5O3/c1-3-27-23(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/h4-12,14-15,20,22H,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)/t15-,20-,22+;15-,17+,18+;13-,16-,18+/m111/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]-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]-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 1308.48 g/mol, XLogP of 6.97, 18 rotatable bonds, 9 hydrogen bond donors, and 15 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]-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 160625070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).