N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide

C20H21FN4O — CID 60555147

IUPACN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1ccc(-n2ccnc2)nc1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O/c1-20(2,3)18(14-4-7-16(21)8-5-14)24-19(26)15-6-9-17(23-12-15)25-11-10-22-13-25/h4-13,18H,1-3H3,(H,24,26)
InChIKeyRAKPAEBYAZLIRH-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.92
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide

N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 60555147) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID60555147
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCC(C)(C)C(NC(=O)c1ccc(-n2ccnc2)nc1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O/c1-20(2,3)18(14-4-7-16(21)8-5-14)24-19(26)15-6-9-17(23-12-15)25-11-10-22-13-25/h4-13,18H,1-3H3,(H,24,26)
InChIKeyRAKPAEBYAZLIRH-UHFFFAOYSA-N
XLogP3.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-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

2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 43355195
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612
6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 103856069
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
N-[1-(4-ethoxyphenyl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 134001965
N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 134001981
3-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427337
6-imidazol-1-yl-N-[(1R)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 51725269
N-[1-(1,3-benzodioxol-5-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 134002047
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 51931107
N-(2,2-difluoro-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 104862732

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide (CID 60555147) is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide is CC(C)(C)C(NC(=O)c1ccc(-n2ccnc2)nc1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is RAKPAEBYAZLIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-20(2,3)18(14-4-7-16(21)8-5-14)24-19(26)15-6-9-17(23-12-15)25-11-10-22-13-25/h4-13,18H,1-3H3,(H,24,26).
What are the key properties of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide?
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 60555147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).