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

C54H80N10O14 — CID 89109027

IUPACN-[2-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]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)CCOCCOCCN(CCNC(=O)c2cccc(=O)n2OCCCC)CCNC(=O)c2cccc(=O)n2OCCCC)cccc1=O
InChIInChI=1S/C54H80N10O14/c1-5-9-35-75-61-43(17-13-21-47(61)65)51(69)55-25-29-59(30-26-56-52(70)44-18-14-22-48(66)62(44)76-36-10-6-2)33-39-73-41-42-74-40-34-60(31-27-57-53(71)45-19-15-23-49(67)63(45)77-37-11-7-3)32-28-58-54(72)46-20-16-24-50(68)64(46)78-38-12-8-4/h13-24H,5-12,25-42H2,1-4H3,(H,55,69)(H,56,70)(H,57,71)(H,58,72)
InChIKeyPMRHMLLBFYLYMM-UHFFFAOYSA-N
MW1093.29 g/mol
LogP0.91
Rot. Bonds41

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

N-[2-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide (PubChem CID 89109027) has the molecular formula C54H80N10O14 and a molecular weight of 1093.29 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]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-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide
PubChem CID89109027
Molecular FormulaC54H80N10O14
Molecular Weight1093.29 g/mol
Exact Mass1092.59
IUPAC NameN-[2-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]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)CCOCCOCCN(CCNC(=O)c2cccc(=O)n2OCCCC)CCNC(=O)c2cccc(=O)n2OCCCC)cccc1=O
InChIInChI=1S/C54H80N10O14/c1-5-9-35-75-61-43(17-13-21-47(61)65)51(69)55-25-29-59(30-26-56-52(70)44-18-14-22-48(66)62(44)76-36-10-6-2)33-39-73-41-42-74-40-34-60(31-27-57-53(71)45-19-15-23-49(67)63(45)77-37-11-7-3)32-28-58-54(72)46-20-16-24-50(68)64(46)78-38-12-8-4/h13-24H,5-12,25-42H2,1-4H3,(H,55,69)(H,56,70)(H,57,71)(H,58,72)
InChIKeyPMRHMLLBFYLYMM-UHFFFAOYSA-N
XLogP0.91
TPSA266.26 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds41
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.29
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]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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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]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-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide (CID 89109027) is N-[2-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]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-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]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-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]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)CCOCCOCCN(CCNC(=O)c2cccc(=O)n2OCCCC)CCNC(=O)c2cccc(=O)n2OCCCC)cccc1=O.
What is the InChIKey of N-[2-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide?
The InChIKey is PMRHMLLBFYLYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H80N10O14/c1-5-9-35-75-61-43(17-13-21-47(61)65)51(69)55-25-29-59(30-26-56-52(70)44-18-14-22-48(66)62(44)76-36-10-6-2)33-39-73-41-42-74-40-34-60(31-27-57-53(71)45-19-15-23-49(67)63(45)77-37-11-7-3)32-28-58-54(72)46-20-16-24-50(68)64(46)78-38-12-8-4/h13-24H,5-12,25-42H2,1-4H3,(H,55,69)(H,56,70)(H,57,71)(H,58,72).
What are the key properties of N-[2-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide?
N-[2-[2-[2-[2-[bis[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide has a molecular weight of 1093.29 g/mol, XLogP of 0.91, 41 rotatable bonds, 4 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-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethoxy]ethoxy]ethyl-[2-[(1-butoxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-butoxy-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 89109027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).