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

C38H48N10O14 — CID 59148971

IUPACN-[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
SMILESO=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCOCCOCCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O
InChIInChI=1S/C38H48N10O14/c49-31-9-1-5-27(45(31)57)35(53)39-13-17-43(18-14-40-36(54)28-6-2-10-32(50)46(28)58)21-23-61-25-26-62-24-22-44(19-15-41-37(55)29-7-3-11-33(51)47(29)59)20-16-42-38(56)30-8-4-12-34(52)48(30)60/h1-12,57-60H,13-26H2,(H,39,53)(H,40,54)(H,41,55)(H,42,56)
InChIKeyMWUHMELCAKVKSF-UHFFFAOYSA-N
MW868.86 g/mol
LogP-3.06
Rot. Bonds25

About 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

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 (PubChem CID 59148971) has the molecular formula C38H48N10O14 and a molecular weight of 868.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID59148971
Molecular FormulaC38H48N10O14
Molecular Weight868.86 g/mol
Exact Mass868.34
IUPAC NameN-[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
SMILESO=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCOCCOCCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O
InChIInChI=1S/C38H48N10O14/c49-31-9-1-5-27(45(31)57)35(53)39-13-17-43(18-14-40-36(54)28-6-2-10-32(50)46(28)58)21-23-61-25-26-62-24-22-44(19-15-41-37(55)29-7-3-11-33(51)47(29)59)20-16-42-38(56)30-8-4-12-34(52)48(30)60/h1-12,57-60H,13-26H2,(H,39,53)(H,40,54)(H,41,55)(H,42,56)
InChIKeyMWUHMELCAKVKSF-UHFFFAOYSA-N
XLogP-3.06
TPSA310.26 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500868.86
LogP ≤ 5-3.06
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

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-[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NCCN(CCNC(=O)c1cccc(=O)n1O)CCOCCOCCN(CCNC(=O)c1cccc(=O)n1O)CCNC(=O)c1cccc(=O)n1O)c1cccc(=O)n1O.
What is the InChIKey of 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?
The InChIKey is MWUHMELCAKVKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N10O14/c49-31-9-1-5-27(45(31)57)35(53)39-13-17-43(18-14-40-36(54)28-6-2-10-32(50)46(28)58)21-23-61-25-26-62-24-22-44(19-15-41-37(55)29-7-3-11-33(51)47(29)59)20-16-42-38(56)30-8-4-12-34(52)48(30)60/h1-12,57-60H,13-26H2,(H,39,53)(H,40,54)(H,41,55)(H,42,56).
What are the key properties of 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?
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 has a molecular weight of 868.86 g/mol, XLogP of -3.06, 25 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59148971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).