3-hydroxy-N-[(5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(oxetan-3-yl)-3,7,12-trioxo-9-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-6,12-dimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-4,6,12-trimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide

C79H82F12N14O25 — CID 158101636

About 3-hydroxy-N-[(5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(oxetan-3-yl)-3,7,12-trioxo-9-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-6,12-dimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-4,6,12-trimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide

3-hydroxy-N-[(5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(oxetan-3-yl)-3,7,12-trioxo-9-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-6,12-dimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-4,6,12-trimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide (PubChem CID 158101636) has the molecular formula C79H82F12N14O25 and a molecular weight of 1855.57 g/mol. Its IUPAC name is 3-hydroxy-N-[(5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(oxetan-3-yl)-3,7,12-trioxo-9-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-6,12-dimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-4,6,12-trimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-hydroxy-N-[(5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(oxetan-3-yl)-3,7,12-trioxo-9-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-6,12-dimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-4,6,12-trimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide
• PubChem CID: 158101636
• Molecular Formula: C79H82F12N14O25
• Molecular Weight: 1855.57 g/mol
• Exact Mass: 1854.54
• IUPAC Name: 3-hydroxy-N-[(5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(oxetan-3-yl)-3,7,12-trioxo-9-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-6,12-dimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-4,6,12-trimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide
• SMILES: C[C@H]1OC(=O)C(C2COC2)N(C)C(=O)[C@H](C)[C@H](O)[C@H](Cc2c(F)nc(F)c(F)c2F)NC(=O)[C@H]1NC(=O)c1ncccc1O.C[C@H]1OC(=O)C(C2COC2)NC(=O)[C@H](C)[C@H](O)[C@H](Cc2c(F)nc(F)c(F)c2F)NC(=O)[C@H]1NC(=O)c1ncccc1O.C[C@H]1OC(=O)C(C2COC2)OC(=O)[C@H](C)[C@H](O)[C@H](Cc2c(F)nc(F)c(F)c2F)NC(=O)[C@H]1NC(=O)c1ncccc1O
• InChI: InChI=1S/C27H29F4N5O8.C26H27F4N5O8.C26H26F4N4O9/c1-10-21(38)14(7-13-16(28)17(29)23(31)35-22(13)30)33-24(39)18(34-25(40)19-15(37)5-4-6-32-19)11(2)44-27(42)20(12-8-43-9-12)36(3)26(10)41;1-9-20(37)13(6-12-15(27)16(28)22(30)35-21(12)29)32-24(39)17(33-25(40)19-14(36)4-3-5-31-19)10(2)43-26(41)18(34-23(9)38)11-7-42-8-11;1-9-19(36)13(6-12-15(27)16(28)22(30)34-21(12)29)32-23(37)17(33-24(38)18-14(35)4-3-5-31-18)10(2)42-26(40)20(43-25(9)39)11-7-41-8-11/h4-6,10-12,14,18,20-21,37-38H,7-9H2,1-3H3,(H,33,39)(H,34,40);3-5,9-11,13,17-18,20,36-37H,6-8H2,1-2H3,(H,32,39)(H,33,40)(H,34,38);3-5,9-11,13,17,19-20,35-36H,6-8H2,1-2H3,(H,32,37)(H,33,38)/t10-,11-,14+,18+,20?,21+;9-,10-,13+,17+,18?,20+;9-,10-,13+,17+,19+,20?/m111/s1
• InChIKey: FPIJIWRWXBPARU-GXFOBITMSA-N
• XLogP: -0.32
• TPSA: 555.62 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1855.57
LogP ≤ 5	-0.32
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(oxetan-3-yl)-3,7,12-trioxo-9-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-6,12-dimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-4,6,12-trimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide?

The IUPAC name of 3-hydroxy-N-[(5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(oxetan-3-yl)-3,7,12-trioxo-9-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-6,12-dimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-4,6,12-trimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide (CID 158101636) is 3-hydroxy-N-[(5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(oxetan-3-yl)-3,7,12-trioxo-9-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-6,12-dimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-4,6,12-trimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide.

What is the SMILES notation for 3-hydroxy-N-[(5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(oxetan-3-yl)-3,7,12-trioxo-9-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-6,12-dimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-4,6,12-trimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide?

The canonical SMILES for 3-hydroxy-N-[(5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(oxetan-3-yl)-3,7,12-trioxo-9-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-6,12-dimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-4,6,12-trimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide is C[C@H]1OC(=O)C(C2COC2)N(C)C(=O)[C@H](C)[C@H](O)[C@H](Cc2c(F)nc(F)c(F)c2F)NC(=O)[C@H]1NC(=O)c1ncccc1O.C[C@H]1OC(=O)C(C2COC2)NC(=O)[C@H](C)[C@H](O)[C@H](Cc2c(F)nc(F)c(F)c2F)NC(=O)[C@H]1NC(=O)c1ncccc1O.C[C@H]1OC(=O)C(C2COC2)OC(=O)[C@H](C)[C@H](O)[C@H](Cc2c(F)nc(F)c(F)c2F)NC(=O)[C@H]1NC(=O)c1ncccc1O.

What is the InChIKey of 3-hydroxy-N-[(5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(oxetan-3-yl)-3,7,12-trioxo-9-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-6,12-dimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-4,6,12-trimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide?

The InChIKey is FPIJIWRWXBPARU-GXFOBITMSA-N. The full InChI is InChI=1S/C27H29F4N5O8.C26H27F4N5O8.C26H26F4N4O9/c1-10-21(38)14(7-13-16(28)17(29)23(31)35-22(13)30)33-24(39)18(34-25(40)19-15(37)5-4-6-32-19)11(2)44-27(42)20(12-8-43-9-12)36(3)26(10)41;1-9-20(37)13(6-12-15(27)16(28)22(30)35-21(12)29)32-24(39)17(33-25(40)19-14(36)4-3-5-31-19)10(2)43-26(41)18(34-23(9)38)11-7-42-8-11;1-9-19(36)13(6-12-15(27)16(28)22(30)34-21(12)29)32-23(37)17(33-24(38)18-14(35)4-3-5-31-18)10(2)42-26(40)20(43-25(9)39)11-7-41-8-11/h4-6,10-12,14,18,20-21,37-38H,7-9H2,1-3H3,(H,33,39)(H,34,40);3-5,9-11,13,17-18,20,36-37H,6-8H2,1-2H3,(H,32,39)(H,33,40)(H,34,38);3-5,9-11,13,17,19-20,35-36H,6-8H2,1-2H3,(H,32,37)(H,33,38)/t10-,11-,14+,18+,20?,21+;9-,10-,13+,17+,18?,20+;9-,10-,13+,17+,19+,20?/m111/s1.

What are the key properties of 3-hydroxy-N-[(5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(oxetan-3-yl)-3,7,12-trioxo-9-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-6,12-dimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-4,6,12-trimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide?

3-hydroxy-N-[(5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(oxetan-3-yl)-3,7,12-trioxo-9-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-6,12-dimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-4,6,12-trimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide has a molecular weight of 1855.57 g/mol, XLogP of -0.32, 15 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-N-[(5R,6S,9S,10S,11R)-10-hydroxy-5,11-dimethyl-2-(oxetan-3-yl)-3,7,12-trioxo-9-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1,4-dioxa-8-azacyclododec-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-6,12-dimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide;3-hydroxy-N-[(6R,7S,8S,11S,12R)-7-hydroxy-4,6,12-trimethyl-3-(oxetan-3-yl)-2,5,10-trioxo-8-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]-1-oxa-4,9-diazacyclododec-11-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158101636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).