N-[3,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]cyclohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide

C24H24N6O9 — CID 172678068

IUPACN-[3,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]cyclohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide
SMILESO=C(NC1CC(NC(=O)c2cccc(=O)n2O)CC(NC(=O)c2cccc(=O)n2O)C1)c1cccc(=O)n1O
InChIInChI=1S/C24H24N6O9/c31-19-7-1-4-16(28(19)37)22(34)25-13-10-14(26-23(35)17-5-2-8-20(32)29(17)38)12-15(11-13)27-24(36)18-6-3-9-21(33)30(18)39/h1-9,13-15,37-39H,10-12H2,(H,25,34)(H,26,35)(H,27,36)
InChIKeyLSFRYRGEVGMQKF-UHFFFAOYSA-N
MW540.49 g/mol
LogP-1.24
Rot. Bonds6

About N-[3,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]cyclohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide

N-[3,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]cyclohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide (PubChem CID 172678068) has the molecular formula C24H24N6O9 and a molecular weight of 540.49 g/mol. Its IUPAC name is N-[3,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]cyclohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]cyclohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide
PubChem CID172678068
Molecular FormulaC24H24N6O9
Molecular Weight540.49 g/mol
Exact Mass540.16
IUPAC NameN-[3,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]cyclohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide
SMILESO=C(NC1CC(NC(=O)c2cccc(=O)n2O)CC(NC(=O)c2cccc(=O)n2O)C1)c1cccc(=O)n1O
InChIInChI=1S/C24H24N6O9/c31-19-7-1-4-16(28(19)37)22(34)25-13-10-14(26-23(35)17-5-2-8-20(32)29(17)38)12-15(11-13)27-24(36)18-6-3-9-21(33)30(18)39/h1-9,13-15,37-39H,10-12H2,(H,25,34)(H,26,35)(H,27,36)
InChIKeyLSFRYRGEVGMQKF-UHFFFAOYSA-N
XLogP-1.24
TPSA213.99 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500540.49
LogP ≤ 5-1.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]cyclohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide?
The IUPAC name of N-[3,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]cyclohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide (CID 172678068) is N-[3,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]cyclohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide.
What is the SMILES notation for N-[3,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]cyclohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide?
The canonical SMILES for N-[3,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]cyclohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide is O=C(NC1CC(NC(=O)c2cccc(=O)n2O)CC(NC(=O)c2cccc(=O)n2O)C1)c1cccc(=O)n1O.
What is the InChIKey of N-[3,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]cyclohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide?
The InChIKey is LSFRYRGEVGMQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O9/c31-19-7-1-4-16(28(19)37)22(34)25-13-10-14(26-23(35)17-5-2-8-20(32)29(17)38)12-15(11-13)27-24(36)18-6-3-9-21(33)30(18)39/h1-9,13-15,37-39H,10-12H2,(H,25,34)(H,26,35)(H,27,36).
What are the key properties of N-[3,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]cyclohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide?
N-[3,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]cyclohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide has a molecular weight of 540.49 g/mol, XLogP of -1.24, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]cyclohexyl]-1-hydroxy-6-oxopyridine-2-carboxamide is sourced from PubChem (CID 172678068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).