N-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide

C16H22N4O6 — CID 90715457

IUPACN-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide
SMILESO=C(NCCCCCCNC(=O)n1c(O)ccc1O)n1c(O)ccc1O
InChIInChI=1S/C16H22N4O6/c21-11-5-6-12(22)19(11)15(25)17-9-3-1-2-4-10-18-16(26)20-13(23)7-8-14(20)24/h5-8,21-24H,1-4,9-10H2,(H,17,25)(H,18,26)
InChIKeyIZKABSOKYOGPLQ-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.49
Rot. Bonds7

About N-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide

N-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide (PubChem CID 90715457) has the molecular formula C16H22N4O6 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide.

Molecular Properties

Compound NameN-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide
PubChem CID90715457
Molecular FormulaC16H22N4O6
Molecular Weight366.37 g/mol
Exact Mass366.15
IUPAC NameN-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide
SMILESO=C(NCCCCCCNC(=O)n1c(O)ccc1O)n1c(O)ccc1O
InChIInChI=1S/C16H22N4O6/c21-11-5-6-12(22)19(11)15(25)17-9-3-1-2-4-10-18-16(26)20-13(23)7-8-14(20)24/h5-8,21-24H,1-4,9-10H2,(H,17,25)(H,18,26)
InChIKeyIZKABSOKYOGPLQ-UHFFFAOYSA-N
XLogP1.49
TPSA148.98 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 51.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,5-Dihydroxypyrrol-1-yl)methyl]pyrrole-2,5-diol
CID 54124926
N-[5-(2,5-dihydroxypyrrol-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 54505583
1-[8-(2,5-Dihydroxypyrrol-1-yl)octyl]pyrrole-2,5-diol
CID 53654444
1-[6-(2,5-Dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol
CID 53695294
1-[1-(2,5-Dihydroxypyrrol-1-yl)propyl]pyrrole-2,5-diol
CID 53807427
1-[1-(2,5-Dihydroxypyrrol-1-yl)hexyl]pyrrole-2,5-diol
CID 54110038
1-[12-(2,5-Dihydroxypyrrol-1-yl)dodecyl]pyrrole-2,5-diol
CID 54123194
Bis(2,5-dihydroxypyrrol-1-yl)methanone
CID 54196158
1-[10-(2,5-Dihydroxypyrrol-1-yl)decyl]pyrrole-2,5-diol
CID 54293191
1-[7-(2,5-Dihydroxypyrrol-1-yl)heptyl]pyrrole-2,5-diol
CID 54364204
1-[18-(2,5-Dihydroxypyrrol-1-yl)octadecyl]pyrrole-2,5-diol
CID 54524867
1-[9-(2,5-Dihydroxypyrrol-1-yl)nonyl]pyrrole-2,5-diol
CID 57120164

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide?
The IUPAC name of N-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide (CID 90715457) is N-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide.
What is the SMILES notation for N-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide?
The canonical SMILES for N-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide is O=C(NCCCCCCNC(=O)n1c(O)ccc1O)n1c(O)ccc1O.
What is the InChIKey of N-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide?
The InChIKey is IZKABSOKYOGPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O6/c21-11-5-6-12(22)19(11)15(25)17-9-3-1-2-4-10-18-16(26)20-13(23)7-8-14(20)24/h5-8,21-24H,1-4,9-10H2,(H,17,25)(H,18,26).
What are the key properties of N-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide?
N-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 1.49, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,5-dihydroxypyrrole-1-carbonyl)amino]hexyl]-2,5-dihydroxypyrrole-1-carboxamide is sourced from PubChem (CID 90715457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).