N-[2-[[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]methyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide;N-[2-[2,4-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]pentoxy]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide

C67H76N18O25 — CID 158191064

About N-[2-[[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]methyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide;N-[2-[2,4-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]pentoxy]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide

N-[2-[[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]methyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide;N-[2-[2,4-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]pentoxy]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide (PubChem CID 158191064) has the molecular formula C67H76N18O25 and a molecular weight of 1533.45 g/mol. Its IUPAC name is N-[2-[[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]methyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide;N-[2-[2,4-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]pentoxy]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]methyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide;N-[2-[2,4-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]pentoxy]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide
• PubChem CID: 158191064
• Molecular Formula: C67H76N18O25
• Molecular Weight: 1533.45 g/mol
• Exact Mass: 1532.52
• IUPAC Name: N-[2-[[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]methyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide;N-[2-[2,4-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]pentoxy]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide
• SMILES: C=C1C=CC=C(C(=O)NCCOCC(CC(COCCNC(=O)c2cccc(=O)n2O)NC(=O)c2cccc(=O)n2O)NC(=O)c2cccc(=O)n2O)N1O.O=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O
• InChI: InChI=1S/C34H38N8O13.C33H38N10O12/c1-21-6-2-7-24(39(21)50)31(46)35-14-16-54-19-22(37-33(48)26-9-4-12-29(44)41(26)52)18-23(38-34(49)27-10-5-13-30(45)42(27)53)20-55-17-15-36-32(47)25-8-3-11-28(43)40(25)51;44-26-9-1-5-22(40(26)52)30(48)34-13-17-38(18-14-35-31(49)23-6-2-10-27(45)41(23)53)21-39(19-15-36-32(50)24-7-3-11-28(46)42(24)54)20-16-37-33(51)25-8-4-12-29(47)43(25)55/h2-13,22-23,50-53H,1,14-20H2,(H,35,46)(H,36,47)(H,37,48)(H,38,49);1-12,52-55H,13-21H2,(H,34,48)(H,35,49)(H,36,50)(H,37,51)
• InChIKey: FZTIPXJBWAXMEB-UHFFFAOYSA-N
• XLogP: -4.73
• TPSA: 576.82 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 35
• Rotatable Bonds: 36
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1533.45
LogP ≤ 5	-4.73
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]methyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide;N-[2-[2,4-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]pentoxy]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide?

The IUPAC name of N-[2-[[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]methyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide;N-[2-[2,4-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]pentoxy]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide (CID 158191064) is N-[2-[[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]methyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide;N-[2-[2,4-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]pentoxy]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide.

What is the SMILES notation for N-[2-[[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]methyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide;N-[2-[2,4-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]pentoxy]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide?

The canonical SMILES for N-[2-[[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]methyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide;N-[2-[2,4-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]pentoxy]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide is C=C1C=CC=C(C(=O)NCCOCC(CC(COCCNC(=O)c2cccc(=O)n2O)NC(=O)c2cccc(=O)n2O)NC(=O)c2cccc(=O)n2O)N1O.O=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O.

What is the InChIKey of N-[2-[[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]methyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide;N-[2-[2,4-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]pentoxy]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide?

The InChIKey is FZTIPXJBWAXMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N8O13.C33H38N10O12/c1-21-6-2-7-24(39(21)50)31(46)35-14-16-54-19-22(37-33(48)26-9-4-12-29(44)41(26)52)18-23(38-34(49)27-10-5-13-30(45)42(27)53)20-55-17-15-36-32(47)25-8-3-11-28(43)40(25)51;44-26-9-1-5-22(40(26)52)30(48)34-13-17-38(18-14-35-31(49)23-6-2-10-27(45)41(23)53)21-39(19-15-36-32(50)24-7-3-11-28(46)42(24)54)20-16-37-33(51)25-8-4-12-29(47)43(25)55/h2-13,22-23,50-53H,1,14-20H2,(H,35,46)(H,36,47)(H,37,48)(H,38,49);1-12,52-55H,13-21H2,(H,34,48)(H,35,49)(H,36,50)(H,37,51).

What are the key properties of N-[2-[[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]methyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide;N-[2-[2,4-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]pentoxy]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide?

N-[2-[[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]methyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide;N-[2-[2,4-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]pentoxy]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide has a molecular weight of 1533.45 g/mol, XLogP of -4.73, 36 rotatable bonds, 16 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]methyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide;N-[2-[2,4-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]-5-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]pentoxy]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide is sourced from PubChem (CID 158191064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).