(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-chlorophenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3R)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide

C106H125ClN26O13 — CID 157254399

About (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-chlorophenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3R)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-chlorophenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3R)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide (PubChem CID 157254399) has the molecular formula C106H125ClN26O13 and a molecular weight of 2006.79 g/mol. Its IUPAC name is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-chlorophenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3R)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-chlorophenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3R)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide
• PubChem CID: 157254399
• Molecular Formula: C106H125ClN26O13
• Molecular Weight: 2006.79 g/mol
• Exact Mass: 2004.96
• IUPAC Name: (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-chlorophenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3R)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide
• SMILES: CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)C1=NCC(=O)N1C)c1ccccc1.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1ccc(C)nc1C.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1ccc(Cl)cc1.CC[C@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1ccc(C)nc1C
• InChI: InChI=1S/2C27H33N7O3.C26H29ClN6O3.C26H30N6O4/c2*1-6-19(20-8-7-16(2)31-17(20)3)15-23(35)34-24(26(37)33(5)27-30-11-12-32(27)4)21(25(34)36)13-18-9-10-29-22(28)14-18;1-4-17(18-5-7-19(27)8-6-18)15-22(34)33-23(25(36)32(3)26-30-11-12-31(26)2)20(24(33)35)13-16-9-10-29-21(28)14-16;1-4-17(18-8-6-5-7-9-18)14-21(33)32-23(25(36)31(3)26-29-15-22(34)30(26)2)19(24(32)35)12-16-10-11-28-20(27)13-16/h2*7-12,14,19,21,24H,6,13,15H2,1-5H3,(H2,28,29);5-12,14,17,20,23H,4,13,15H2,1-3H3,(H2,28,29);5-11,13,17,19,23H,4,12,14-15H2,1-3H3,(H2,27,28)/t19-,21+,24-;19-,21-,24+;17-,20+,23-;17-,19+,23-/m0100/s1
• InChIKey: AWSISIRKTGWFQX-KEQIBBHCSA-N
• XLogP: 9.73
• TPSA: 498.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2006.79
LogP ≤ 5	9.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-chlorophenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3R)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide?

The IUPAC name of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-chlorophenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3R)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide (CID 157254399) is (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-chlorophenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3R)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide.

What is the SMILES notation for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-chlorophenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3R)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide?

The canonical SMILES for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-chlorophenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3R)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide is CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)C1=NCC(=O)N1C)c1ccccc1.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1ccc(C)nc1C.CC[C@@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1ccc(Cl)cc1.CC[C@H](CC(=O)N1C(=O)[C@H](Cc2ccnc(N)c2)[C@H]1C(=O)N(C)c1nccn1C)c1ccc(C)nc1C.

What is the InChIKey of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-chlorophenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3R)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide?

The InChIKey is AWSISIRKTGWFQX-KEQIBBHCSA-N. The full InChI is InChI=1S/2C27H33N7O3.C26H29ClN6O3.C26H30N6O4/c2*1-6-19(20-8-7-16(2)31-17(20)3)15-23(35)34-24(26(37)33(5)27-30-11-12-32(27)4)21(25(34)36)13-18-9-10-29-22(28)14-18;1-4-17(18-5-7-19(27)8-6-18)15-22(34)33-23(25(36)32(3)26-30-11-12-31(26)2)20(24(33)35)13-16-9-10-29-21(28)14-16;1-4-17(18-8-6-5-7-9-18)14-21(33)32-23(25(36)31(3)26-29-15-22(34)30(26)2)19(24(32)35)12-16-10-11-28-20(27)13-16/h2*7-12,14,19,21,24H,6,13,15H2,1-5H3,(H2,28,29);5-12,14,17,20,23H,4,13,15H2,1-3H3,(H2,28,29);5-11,13,17,19,23H,4,12,14-15H2,1-3H3,(H2,27,28)/t19-,21+,24-;19-,21-,24+;17-,20+,23-;17-,19+,23-/m0100/s1.

What are the key properties of (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-chlorophenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3R)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide?

(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-chlorophenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3R)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide has a molecular weight of 2006.79 g/mol, XLogP of 9.73, 31 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(4-chlorophenyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3R)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-1-[(3S)-3-(2,6-dimethyl-3-pyridinyl)pentanoyl]-N-methyl-N-(1-methylimidazol-2-yl)-4-oxoazetidine-2-carboxamide;(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-N-methyl-N-(1-methyl-5-oxo-4H-imidazol-2-yl)-4-oxo-1-[(3S)-3-phenylpentanoyl]azetidine-2-carboxamide is sourced from PubChem (CID 157254399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).