N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-[2-[2-[2-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide

C55H72N8O10S — CID 135147269

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-[2-[2-[2-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-[2-[2-[2-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide (PubChem CID 135147269) has the molecular formula C55H72N8O10S and a molecular weight of 1037.29 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-[2-[2-[2-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-[2-[2-[2-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide
• PubChem CID: 135147269
• Molecular Formula: C55H72N8O10S
• Molecular Weight: 1037.29 g/mol
• Exact Mass: 1036.51
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-[2-[2-[2-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)c2c(C)n(C(C)C3CCN(C(=O)COCCOCCOCC(=O)NC(C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)c3ccccc23)c(=O)[nH]1
• InChI: InChI=1S/C55H72N8O10S/c1-33-25-34(2)59-51(67)43(33)28-57-53(69)48-37(5)63(44-12-10-9-11-42(44)48)36(4)39-17-19-61(20-18-39)47(66)31-73-24-22-71-21-23-72-30-46(65)60-50(55(6,7)8)54(70)62-29-41(64)26-45(62)52(68)56-27-38-13-15-40(16-14-38)49-35(3)58-32-74-49/h9-16,25,32,36,39,41,45,50,64H,17-24,26-31H2,1-8H3,(H,56,68)(H,57,69)(H,59,67)(H,60,65)/t36?,41-,45+,50?/m1/s1
• InChIKey: KSUNXPCUFYLTGP-YELUCSPUSA-N
• XLogP: 5.28
• TPSA: 226.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1037.29
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-[2-[2-[2-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-[2-[2-[2-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide (CID 135147269) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-[2-[2-[2-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-[2-[2-[2-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-[2-[2-[2-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide is Cc1cc(C)c(CNC(=O)c2c(C)n(C(C)C3CCN(C(=O)COCCOCCOCC(=O)NC(C(=O)N4C[C@H](O)C[C@H]4C(=O)NCc4ccc(-c5scnc5C)cc4)C(C)(C)C)CC3)c3ccccc23)c(=O)[nH]1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-[2-[2-[2-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide?

The InChIKey is KSUNXPCUFYLTGP-YELUCSPUSA-N. The full InChI is InChI=1S/C55H72N8O10S/c1-33-25-34(2)59-51(67)43(33)28-57-53(69)48-37(5)63(44-12-10-9-11-42(44)48)36(4)39-17-19-61(20-18-39)47(66)31-73-24-22-71-21-23-72-30-46(65)60-50(55(6,7)8)54(70)62-29-41(64)26-45(62)52(68)56-27-38-13-15-40(16-14-38)49-35(3)58-32-74-49/h9-16,25,32,36,39,41,45,50,64H,17-24,26-31H2,1-8H3,(H,56,68)(H,57,69)(H,59,67)(H,60,65)/t36?,41-,45+,50?/m1/s1.

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-[2-[2-[2-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-[2-[2-[2-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide has a molecular weight of 1037.29 g/mol, XLogP of 5.28, 21 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[1-[1-[2-[2-[2-[2-[[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]piperidin-4-yl]ethyl]-2-methylindole-3-carboxamide is sourced from PubChem (CID 135147269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).