2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide

C23H18ClFN4O — CID 92771894

IUPAC2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(-c3ncc(-c4ccc(F)cc4)[nH]3)cc2)cc(Cl)n1
InChIInChI=1S/C23H18ClFN4O/c1-14-10-18(11-21(24)28-14)23(30)27-12-15-2-4-17(5-3-15)22-26-13-20(29-22)16-6-8-19(25)9-7-16/h2-11,13H,12H2,1H3,(H,26,29)(H,27,30)
InChIKeyJMNRVCOELUQMAT-UHFFFAOYSA-N
MW420.88 g/mol
LogP5.17
Rot. Bonds5

About 2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide

2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide (PubChem CID 92771894) has the molecular formula C23H18ClFN4O and a molecular weight of 420.88 g/mol. Its IUPAC name is 2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide
PubChem CID92771894
Molecular FormulaC23H18ClFN4O
Molecular Weight420.88 g/mol
Exact Mass420.12
IUPAC Name2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(-c3ncc(-c4ccc(F)cc4)[nH]3)cc2)cc(Cl)n1
InChIInChI=1S/C23H18ClFN4O/c1-14-10-18(11-21(24)28-14)23(30)27-12-15-2-4-17(5-3-15)22-26-13-20(29-22)16-6-8-19(25)9-7-16/h2-11,13H,12H2,1H3,(H,26,29)(H,27,30)
InChIKeyJMNRVCOELUQMAT-UHFFFAOYSA-N
XLogP5.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.88
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methylcarbamoyl]benzenesulfonyl fluoride
CID 46089481
2-chloro-6-methoxy-N-[[4-[5-(4-morpholin-4-ylphenyl)-1H-imidazol-2-yl]phenyl]methyl]pyridine-4-carboxamide
CID 92819857
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285
5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
CID 46089767
2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide
CID 91633898
N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 77087853
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
2-chloro-N-[(2-chlorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378301
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 113378416
5-chloro-N-[(4-fluorophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 62167616
2-chloro-6-methyl-N-(pyrimidin-4-ylmethyl)pyridine-4-carboxamide
CID 114110725

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide (CID 92771894) is 2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)NCc2ccc(-c3ncc(-c4ccc(F)cc4)[nH]3)cc2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide?
The InChIKey is JMNRVCOELUQMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O/c1-14-10-18(11-21(24)28-14)23(30)27-12-15-2-4-17(5-3-15)22-26-13-20(29-22)16-6-8-19(25)9-7-16/h2-11,13H,12H2,1H3,(H,26,29)(H,27,30).
What are the key properties of 2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide?
2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide has a molecular weight of 420.88 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 92771894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).