N-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide

C18H24N6O4S2 — CID 163268811

IUPACN-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide
SMILESNCCN(CCNC(=O)c1cccc(=S)n1O)CCNC(=O)c1cccc(=S)n1O
InChIInChI=1S/C18H24N6O4S2/c19-7-10-22(11-8-20-17(25)13-3-1-5-15(29)23(13)27)12-9-21-18(26)14-4-2-6-16(30)24(14)28/h1-6,27-28H,7-12,19H2,(H,20,25)(H,21,26)
InChIKeyOIVOCJBLNYFGJU-UHFFFAOYSA-N
MW452.56 g/mol
LogP0.64
Rot. Bonds10

About N-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide

N-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide (PubChem CID 163268811) has the molecular formula C18H24N6O4S2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide
PubChem CID163268811
Molecular FormulaC18H24N6O4S2
Molecular Weight452.56 g/mol
Exact Mass452.13
IUPAC NameN-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide
SMILESNCCN(CCNC(=O)c1cccc(=S)n1O)CCNC(=O)c1cccc(=S)n1O
InChIInChI=1S/C18H24N6O4S2/c19-7-10-22(11-8-20-17(25)13-3-1-5-15(29)23(13)27)12-9-21-18(26)14-4-2-6-16(30)24(14)28/h1-6,27-28H,7-12,19H2,(H,20,25)(H,21,26)
InChIKeyOIVOCJBLNYFGJU-UHFFFAOYSA-N
XLogP0.64
TPSA137.78 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 50.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 59001680
N-[2-[bis(2-aminoethyl)amino]ethyl]anthracene-9-carboxamide
CID 102471528
cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate
CID 163963342
5-N-[2-[2-aminoethyl(methyl)amino]ethyl]-2-N-[3-[3-[[5-[2-[2-aminoethyl(methyl)amino]ethylcarbamoyl]-1-hydroxy-6-sulfanylidenepyridine-2-carbonyl]amino]propyl-[3-[(5-formyl-1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]propyl]amino]propyl]-1-hydroxy-6-sulfanylidenepyridine-2,5-dicarboxamide
CID 163268807
3-N-[2-[2-aminoethyl-[2-[2-[[2-hydroxy-3-[2-(methylamino)ethylcarbamoyl]benzoyl]amino]ethyl-[2-[[2-hydroxy-3-(propylcarbamoyl)benzoyl]amino]ethyl]amino]ethyl]amino]ethyl]-2-hydroxy-1-N-propylbenzene-1,3-dicarboxamide
CID 139504582
N-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide
CID 59067457
1-hydroxy-N-[2-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethylamino]ethyl]-6-oxopyridine-2-carboxamide
CID 70913988
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
N-(3-aminopropyl)-1-hydroxy-6-oxopyridine-2-carboxamide;2,2-bis(aminomethyl)propane-1,3-diamine;1-hydroxy-6-oxopyridine-2-carboxylic acid
CID 160815095
1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
CID 12964331
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
N-(2-aminoethyl)benzamide;ethane
CID 143976252

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide?
The IUPAC name of N-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide (CID 163268811) is N-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide.
What is the SMILES notation for N-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide?
The canonical SMILES for N-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide is NCCN(CCNC(=O)c1cccc(=S)n1O)CCNC(=O)c1cccc(=S)n1O.
What is the InChIKey of N-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide?
The InChIKey is OIVOCJBLNYFGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O4S2/c19-7-10-22(11-8-20-17(25)13-3-1-5-15(29)23(13)27)12-9-21-18(26)14-4-2-6-16(30)24(14)28/h1-6,27-28H,7-12,19H2,(H,20,25)(H,21,26).
What are the key properties of N-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide?
N-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 0.64, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-aminoethyl-[2-[(1-hydroxy-6-sulfanylidenepyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-sulfanylidenepyridine-2-carboxamide is sourced from PubChem (CID 163268811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).