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

C34H38N8O13 — CID 59148991

IUPACN-[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
SMILESC=C1C=CC=C(C(=O)NCCOCC(CC(COCCNC(=O)c2cccc(=O)n2O)NC(=O)c2cccc(=O)n2O)NC(=O)c2cccc(=O)n2O)N1O
InChIInChI=1S/C34H38N8O13/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/h2-13,22-23,50-53H,1,14-20H2,(H,35,46)(H,36,47)(H,37,48)(H,38,49)
InChIKeyQLMNXWXQGZANQV-UHFFFAOYSA-N
MW766.72 g/mol
LogP-1.59
Rot. Bonds18

About 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-[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 59148991) has the molecular formula C34H38N8O13 and a molecular weight of 766.72 g/mol. Its IUPAC name is 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 NameN-[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 CID59148991
Molecular FormulaC34H38N8O13
Molecular Weight766.72 g/mol
Exact Mass766.26
IUPAC NameN-[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
SMILESC=C1C=CC=C(C(=O)NCCOCC(CC(COCCNC(=O)c2cccc(=O)n2O)NC(=O)c2cccc(=O)n2O)NC(=O)c2cccc(=O)n2O)N1O
InChIInChI=1S/C34H38N8O13/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/h2-13,22-23,50-53H,1,14-20H2,(H,35,46)(H,36,47)(H,37,48)(H,38,49)
InChIKeyQLMNXWXQGZANQV-UHFFFAOYSA-N
XLogP-1.59
TPSA285.02 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500766.72
LogP ≤ 5-1.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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-[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) is 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-[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-[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.
What is the InChIKey of 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 QLMNXWXQGZANQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N8O13/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/h2-13,22-23,50-53H,1,14-20H2,(H,35,46)(H,36,47)(H,37,48)(H,38,49).
What are the key properties of 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-[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 766.72 g/mol, XLogP of -1.59, 18 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 59148991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).