2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide

C16H11Cl2FN4O — CID 166405500

IUPAC2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)c2cc(Cl)ncc2Cl)cc1F
InChIInChI=1S/C16H11Cl2FN4O/c1-9-20-4-5-23(9)14-3-2-10(6-13(14)19)22-16(24)11-7-15(18)21-8-12(11)17/h2-8H,1H3,(H,22,24)
InChIKeyVBVZEEJDQVRRAO-UHFFFAOYSA-N
MW365.20 g/mol
LogP4.27
Rot. Bonds3

About 2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide

2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 166405500) has the molecular formula C16H11Cl2FN4O and a molecular weight of 365.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID166405500
Molecular FormulaC16H11Cl2FN4O
Molecular Weight365.20 g/mol
Exact Mass364.03
IUPAC Name2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)c2cc(Cl)ncc2Cl)cc1F
InChIInChI=1S/C16H11Cl2FN4O/c1-9-20-4-5-23(9)14-3-2-10(6-13(14)19)22-16(24)11-7-15(18)21-8-12(11)17/h2-8H,1H3,(H,22,24)
InChIKeyVBVZEEJDQVRRAO-UHFFFAOYSA-N
XLogP4.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-fluoro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide
CID 55856619
N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55856740
3-(2,2-dimethylpropanoylamino)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]benzamide
CID 55857379
2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 114918756
5-(dimethylsulfamoyl)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-2-piperidin-1-ylbenzamide
CID 55857004
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
2,5-dichloro-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 114917530
cis-(1R,2S)-N-[3-[3-fluoro-4-(2-methylimidazol-1-yl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94535759
2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide
CID 114917371
2,5-dichloro-N-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 114917622
(2R)-2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]carbamoylamino]-N-propylpropanamide
CID 95278065

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide (CID 166405500) is 2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide is Cc1nccn1-c1ccc(NC(=O)c2cc(Cl)ncc2Cl)cc1F.
What is the InChIKey of 2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is VBVZEEJDQVRRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2FN4O/c1-9-20-4-5-23(9)14-3-2-10(6-13(14)19)22-16(24)11-7-15(18)21-8-12(11)17/h2-8H,1H3,(H,22,24).
What are the key properties of 2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide?
2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 365.20 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 166405500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).