N-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide

C15H11ClN4O2 — CID 75432250

IUPACN-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C15H11ClN4O2/c16-11-1-2-12(13(21)8-11)19-15(22)10-3-4-18-14(7-10)20-6-5-17-9-20/h1-9,21H,(H,19,22)
InChIKeyBFSSDXHZLIUJJU-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.88
Rot. Bonds3

About N-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide

N-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 75432250) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is N-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID75432250
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC NameN-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C15H11ClN4O2/c16-11-1-2-12(13(21)8-11)19-15(22)10-3-4-18-14(7-10)20-6-5-17-9-20/h1-9,21H,(H,19,22)
InChIKeyBFSSDXHZLIUJJU-UHFFFAOYSA-N
XLogP2.88
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
2-imidazol-1-yl-N-(5-methyl-1H-imidazol-2-yl)pyridine-4-carboxamide
CID 75430489
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 84592390
N-(2,5-dichlorophenyl)-2-piperidin-1-ylpyridine-4-carboxamide
CID 109166252
N-(4-chloro-2-fluorophenyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 26409874
2-imidazol-1-yl-N-(3-methyl-2H-indazol-6-yl)pyridine-4-carboxamide
CID 75439961
N-(2-chloro-4-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 35374886
N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 166481441
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47051734
3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122306150
2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide
CID 51085922
4-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311866

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide (CID 75432250) is N-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide is O=C(Nc1ccc(Cl)cc1O)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of N-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is BFSSDXHZLIUJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-11-1-2-12(13(21)8-11)19-15(22)10-3-4-18-14(7-10)20-6-5-17-9-20/h1-9,21H,(H,19,22).
What are the key properties of N-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide?
N-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 314.73 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 75432250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).