N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide

C17H15FN4O — CID 166327066

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3ncccc3F)cc2)c1C
InChIInChI=1S/C17H15FN4O/c1-11-12(2)22(10-20-11)14-7-5-13(6-8-14)21-17(23)16-15(18)4-3-9-19-16/h3-10H,1-2H3,(H,21,23)
InChIKeySRNKYMLSUOYKEJ-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.28
Rot. Bonds3

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide (PubChem CID 166327066) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide
PubChem CID166327066
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide
SMILESCc1ncn(-c2ccc(NC(=O)c3ncccc3F)cc2)c1C
InChIInChI=1S/C17H15FN4O/c1-11-12(2)22(10-20-11)14-7-5-13(6-8-14)21-17(23)16-15(18)4-3-9-19-16/h3-10H,1-2H3,(H,21,23)
InChIKeySRNKYMLSUOYKEJ-UHFFFAOYSA-N
XLogP3.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 166327065
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
3-bromo-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 146145687
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3,5-difluoro-4-(hydroxymethyl)benzamide
CID 166327111
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-6-methylpyridine-3-carboxamide
CID 166215479
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-2-carboxamide
CID 166215878
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-5-methyl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 166326972
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166254454
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide
CID 166340671
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 146153635
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 166215741
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
CID 166215679

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide (CID 166327066) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide is Cc1ncn(-c2ccc(NC(=O)c3ncccc3F)cc2)c1C.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide?
The InChIKey is SRNKYMLSUOYKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-11-12(2)22(10-20-11)14-7-5-13(6-8-14)21-17(23)16-15(18)4-3-9-19-16/h3-10H,1-2H3,(H,21,23).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 166327066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).