N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide

C23H20N6O5 — CID 46945604

IUPACN-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C23H20N6O5/c30-23(19-2-1-3-21(25-19)27-10-12-34-13-11-27)24-16-6-4-15(5-7-16)22-26-18-9-8-17(29(32)33)14-20(18)28(22)31/h1-9,14,31H,10-13H2,(H,24,30)
InChIKeyQSCUBZTUTDEZTA-UHFFFAOYSA-N
MW460.45 g/mol
LogP3.33
Rot. Bonds5

About N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide

N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 46945604) has the molecular formula C23H20N6O5 and a molecular weight of 460.45 g/mol. Its IUPAC name is N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide
PubChem CID46945604
Molecular FormulaC23H20N6O5
Molecular Weight460.45 g/mol
Exact Mass460.15
IUPAC NameN-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1cccc(N2CCOCC2)n1
InChIInChI=1S/C23H20N6O5/c30-23(19-2-1-3-21(25-19)27-10-12-34-13-11-27)24-16-6-4-15(5-7-16)22-26-18-9-8-17(29(32)33)14-20(18)28(22)31/h1-9,14,31H,10-13H2,(H,24,30)
InChIKeyQSCUBZTUTDEZTA-UHFFFAOYSA-N
XLogP3.33
TPSA135.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11589237
N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide
CID 46945600
N-(4-methylphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573865
4-hydroxy-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11718063
4-cyano-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11632703
2-(4-chlorophenyl)-1-hydroxy-6-nitrobenzimidazole
CID 1476973
1-hydroxy-2-(4-methylphenyl)-6-nitrobenzimidazole
CID 59754379
N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 11567570
1-hydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-6-nitrobenzimidazole
CID 11382629
(E)-3-(furan-2-yl)-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]prop-2-enamide
CID 11523955
N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 73024051
1-hydroxy-6-nitro-2-pyridin-4-ylbenzimidazole
CID 59754587

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide (CID 46945604) is N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide is O=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1cccc(N2CCOCC2)n1.
What is the InChIKey of N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is QSCUBZTUTDEZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O5/c30-23(19-2-1-3-21(25-19)27-10-12-34-13-11-27)24-16-6-4-15(5-7-16)22-26-18-9-8-17(29(32)33)14-20(18)28(22)31/h1-9,14,31H,10-13H2,(H,24,30).
What are the key properties of N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide?
N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 460.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 46945604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).