5-hydroxy-N-[6-[(5-hydroxypyridine-3-carbonyl)amino]hexyl]pyridine-3-carboxamide

C18H22N4O4 — CID 3136481

IUPAC5-hydroxy-N-[6-[(5-hydroxypyridine-3-carbonyl)amino]hexyl]pyridine-3-carboxamide
SMILESO=C(NCCCCCCNC(=O)c1cncc(O)c1)c1cncc(O)c1
InChIInChI=1S/C18H22N4O4/c23-15-7-13(9-19-11-15)17(25)21-5-3-1-2-4-6-22-18(26)14-8-16(24)12-20-10-14/h7-12,23-24H,1-6H2,(H,21,25)(H,22,26)
InChIKeyBMXCDARMXIPBOS-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.61
Rot. Bonds9

About 5-hydroxy-N-[6-[(5-hydroxypyridine-3-carbonyl)amino]hexyl]pyridine-3-carboxamide

5-hydroxy-N-[6-[(5-hydroxypyridine-3-carbonyl)amino]hexyl]pyridine-3-carboxamide (PubChem CID 3136481) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-hydroxy-N-[6-[(5-hydroxypyridine-3-carbonyl)amino]hexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[6-[(5-hydroxypyridine-3-carbonyl)amino]hexyl]pyridine-3-carboxamide
PubChem CID3136481
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name5-hydroxy-N-[6-[(5-hydroxypyridine-3-carbonyl)amino]hexyl]pyridine-3-carboxamide
SMILESO=C(NCCCCCCNC(=O)c1cncc(O)c1)c1cncc(O)c1
InChIInChI=1S/C18H22N4O4/c23-15-7-13(9-19-11-15)17(25)21-5-3-1-2-4-6-22-18(26)14-8-16(24)12-20-10-14/h7-12,23-24H,1-6H2,(H,21,25)(H,22,26)
InChIKeyBMXCDARMXIPBOS-UHFFFAOYSA-N
XLogP1.61
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[6-[(5-hydroxypyridine-3-carbonyl)amino]hexyl]pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-[6-[(5-hydroxypyridine-3-carbonyl)amino]hexyl]pyridine-3-carboxamide (CID 3136481) is 5-hydroxy-N-[6-[(5-hydroxypyridine-3-carbonyl)amino]hexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[6-[(5-hydroxypyridine-3-carbonyl)amino]hexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-[6-[(5-hydroxypyridine-3-carbonyl)amino]hexyl]pyridine-3-carboxamide is O=C(NCCCCCCNC(=O)c1cncc(O)c1)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-[6-[(5-hydroxypyridine-3-carbonyl)amino]hexyl]pyridine-3-carboxamide?
The InChIKey is BMXCDARMXIPBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c23-15-7-13(9-19-11-15)17(25)21-5-3-1-2-4-6-22-18(26)14-8-16(24)12-20-10-14/h7-12,23-24H,1-6H2,(H,21,25)(H,22,26).
What are the key properties of 5-hydroxy-N-[6-[(5-hydroxypyridine-3-carbonyl)amino]hexyl]pyridine-3-carboxamide?
5-hydroxy-N-[6-[(5-hydroxypyridine-3-carbonyl)amino]hexyl]pyridine-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 1.61, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[6-[(5-hydroxypyridine-3-carbonyl)amino]hexyl]pyridine-3-carboxamide is sourced from PubChem (CID 3136481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).