N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide

C24H22N6O4 — CID 46945600

IUPACN-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C24H22N6O4/c31-24(17-6-11-22(25-15-17)28-12-2-1-3-13-28)26-18-7-4-16(5-8-18)23-27-20-10-9-19(30(33)34)14-21(20)29(23)32/h4-11,14-15,32H,1-3,12-13H2,(H,26,31)
InChIKeyORYOZGUSHODHTE-UHFFFAOYSA-N
MW458.48 g/mol
LogP4.49
Rot. Bonds5

About N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide

N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 46945600) has the molecular formula C24H22N6O4 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide
PubChem CID46945600
Molecular FormulaC24H22N6O4
Molecular Weight458.48 g/mol
Exact Mass458.17
IUPAC NameN-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C24H22N6O4/c31-24(17-6-11-22(25-15-17)28-12-2-1-3-13-28)26-18-7-4-16(5-8-18)23-27-20-10-9-19(30(33)34)14-21(20)29(23)32/h4-11,14-15,32H,1-3,12-13H2,(H,26,31)
InChIKeyORYOZGUSHODHTE-UHFFFAOYSA-N
XLogP4.49
TPSA126.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

Analyze N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
3-fluoro-N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]benzamide
CID 11589237
N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-morpholin-4-ylpyridine-2-carboxamide
CID 46945604
1-hydroxy-2-(4-methylphenyl)-6-nitrobenzimidazole
CID 59754379
2-chloro-4-nitro-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 51319265
N-[4-(1-hydroxy-6-methylbenzimidazol-2-yl)phenyl]-4-methylbenzamide
CID 91378305
N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 73024051
N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 11567570
2-(4-chlorophenyl)-1-hydroxy-6-nitrobenzimidazole
CID 1476973
1-hydroxy-2-[4-(4-methylpiperazin-1-yl)phenyl]-6-nitrobenzimidazole
CID 11382629
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-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide (CID 46945600) is N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide is O=C(Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3n2O)cc1)c1ccc(N2CCCCC2)nc1.
What is the InChIKey of N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is ORYOZGUSHODHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O4/c31-24(17-6-11-22(25-15-17)28-12-2-1-3-13-28)26-18-7-4-16(5-8-18)23-27-20-10-9-19(30(33)34)14-21(20)29(23)32/h4-11,14-15,32H,1-3,12-13H2,(H,26,31).
What are the key properties of N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide?
N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 458.48 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)phenyl]-6-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 46945600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).