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

C52H76N10O13 — CID 89109025

IUPACN-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide
SMILESCCCCOn1c(C(=O)NCCN(CCNC(=O)c2cccc(=O)n2OCCCC)CCOCCN(CCNC(=O)c2cccc(=O)n2OCCCC)CCNC(=O)c2cccc(=O)n2OCCCC)cccc1=O
InChIInChI=1S/C52H76N10O13/c1-5-9-35-72-59-41(17-13-21-45(59)63)49(67)53-25-29-57(30-26-54-50(68)42-18-14-22-46(64)60(42)73-36-10-6-2)33-39-71-40-34-58(31-27-55-51(69)43-19-15-23-47(65)61(43)74-37-11-7-3)32-28-56-52(70)44-20-16-24-48(66)62(44)75-38-12-8-4/h13-24H,5-12,25-40H2,1-4H3,(H,53,67)(H,54,68)(H,55,69)(H,56,70)
InChIKeyRTGDOXACGXWHNU-UHFFFAOYSA-N
MW1049.24 g/mol
LogP0.89
Rot. Bonds38

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

N-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide (PubChem CID 89109025) has the molecular formula C52H76N10O13 and a molecular weight of 1049.24 g/mol. Its IUPAC name is N-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide
PubChem CID89109025
Molecular FormulaC52H76N10O13
Molecular Weight1049.24 g/mol
Exact Mass1048.56
IUPAC NameN-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide
SMILESCCCCOn1c(C(=O)NCCN(CCNC(=O)c2cccc(=O)n2OCCCC)CCOCCN(CCNC(=O)c2cccc(=O)n2OCCCC)CCNC(=O)c2cccc(=O)n2OCCCC)cccc1=O
InChIInChI=1S/C52H76N10O13/c1-5-9-35-72-59-41(17-13-21-45(59)63)49(67)53-25-29-57(30-26-54-50(68)42-18-14-22-46(64)60(42)73-36-10-6-2)33-39-71-40-34-58(31-27-55-51(69)43-19-15-23-47(65)61(43)74-37-11-7-3)32-28-56-52(70)44-20-16-24-48(66)62(44)75-38-12-8-4/h13-24H,5-12,25-40H2,1-4H3,(H,53,67)(H,54,68)(H,55,69)(H,56,70)
InChIKeyRTGDOXACGXWHNU-UHFFFAOYSA-N
XLogP0.89
TPSA257.03 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds38
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.24
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

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

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Related Compounds

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-[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
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
N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-methylidenepyridine-2-carboxamide
CID 59149006
N-[2-[4-[bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]butyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide
CID 68188696

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide?
The IUPAC name of N-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide (CID 89109025) is N-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide is CCCCOn1c(C(=O)NCCN(CCNC(=O)c2cccc(=O)n2OCCCC)CCOCCN(CCNC(=O)c2cccc(=O)n2OCCCC)CCNC(=O)c2cccc(=O)n2OCCCC)cccc1=O.
What is the InChIKey of N-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide?
The InChIKey is RTGDOXACGXWHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H76N10O13/c1-5-9-35-72-59-41(17-13-21-45(59)63)49(67)53-25-29-57(30-26-54-50(68)42-18-14-22-46(64)60(42)73-36-10-6-2)33-39-71-40-34-58(31-27-55-51(69)43-19-15-23-47(65)61(43)74-37-11-7-3)32-28-56-52(70)44-20-16-24-48(66)62(44)75-38-12-8-4/h13-24H,5-12,25-40H2,1-4H3,(H,53,67)(H,54,68)(H,55,69)(H,56,70).
What are the key properties of N-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide?
N-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide has a molecular weight of 1049.24 g/mol, XLogP of 0.89, 38 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 89109025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).