N-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide

C36H44N10O13 — CID 59148993

IUPACN-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide
SMILESO=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCOCCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O
InChIInChI=1S/C36H44N10O13/c47-29-9-1-5-25(43(29)55)33(51)37-13-17-41(18-14-38-34(52)26-6-2-10-30(48)44(26)56)21-23-59-24-22-42(19-15-39-35(53)27-7-3-11-31(49)45(27)57)20-16-40-36(54)28-8-4-12-32(50)46(28)58/h1-12,55-58H,13-24H2,(H,37,51)(H,38,52)(H,39,53)(H,40,54)
InChIKeyFGVUGGNHWICDIT-UHFFFAOYSA-N
MW824.81 g/mol
LogP-3.08
Rot. Bonds22

About N-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide

N-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide (PubChem CID 59148993) has the molecular formula C36H44N10O13 and a molecular weight of 824.81 g/mol. Its IUPAC name is N-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide
PubChem CID59148993
Molecular FormulaC36H44N10O13
Molecular Weight824.81 g/mol
Exact Mass824.31
IUPAC NameN-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide
SMILESO=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCOCCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O
InChIInChI=1S/C36H44N10O13/c47-29-9-1-5-25(43(29)55)33(51)37-13-17-41(18-14-38-34(52)26-6-2-10-30(48)44(26)56)21-23-59-24-22-42(19-15-39-35(53)27-7-3-11-31(49)45(27)57)20-16-40-36(54)28-8-4-12-32(50)46(28)58/h1-12,55-58H,13-24H2,(H,37,51)(H,38,52)(H,39,53)(H,40,54)
InChIKeyFGVUGGNHWICDIT-UHFFFAOYSA-N
XLogP-3.08
TPSA301.03 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds22
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500824.81
LogP ≤ 5-3.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide with MolForge

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Related Compounds

N,N'-1,4-Butanediylbis(N-(3-(((1,6-dihydro-1-hydroxy-6-oxo-2-pyridinyl)carbonyl)amino)propyl)-1,6-dihydro-1-hydroxy-6-oxo-2-pyridinecarboxamide
CID 132648
N-[2-[bis[2-[(1-hydroxy-6-oxo-pyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxo-pyridine-2-carboxamide
CID 391972
N-[2-[2-[bis[2-[(1-hydroxy-6-oxo-pyridine-2-carbonyl)amino]ethyl]amino]ethyl-[2-[(1-hydroxy-6-oxo-pyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxo-pyridine-2-carboxamide
CID 391975
1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide;hydrate
CID 139127745
N,N'-[(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis(ethane-2,1-diyl)]bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide)
CID 170995389
N,N'-[(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis(propane-2,1-diyl)]bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide)
CID 170995394
1-oxido-N-[3-[(1-oxido-6-oxopyridine-2-carbonyl)-[4-[(1-oxido-6-oxopyridine-2-carbonyl)-[3-[(1-oxido-6-oxopyridine-2-carbonyl)amino]propyl]amino]butyl]amino]propyl]-6-oxopyridine-2-carboxamide
CID 3036118
N-[2-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide
CID 59148971
1-hydroxy-N-[3-[3-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]propyl-[3-[1-(1-hydroxy-6-oxo-2-pyridinyl)ethenylamino]propyl]amino]propyl]-6-oxopyridine-2-carboxamide
CID 59148974
1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethoxy]ethyl]-6-oxopyridine-2-carboxamide
CID 59148981
N-[2-[3-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]propyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide
CID 59148982
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 59148991

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide (CID 59148993) is N-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide is O=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCOCCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O.
What is the InChIKey of N-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide?
The InChIKey is FGVUGGNHWICDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N10O13/c47-29-9-1-5-25(43(29)55)33(51)37-13-17-41(18-14-38-34(52)26-6-2-10-30(48)44(26)56)21-23-59-24-22-42(19-15-39-35(53)27-7-3-11-31(49)45(27)57)20-16-40-36(54)28-8-4-12-32(50)46(28)58/h1-12,55-58H,13-24H2,(H,37,51)(H,38,52)(H,39,53)(H,40,54).
What are the key properties of N-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide?
N-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide has a molecular weight of 824.81 g/mol, XLogP of -3.08, 22 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 59148993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).