5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide

C18H16FN3O — CID 146092931

IUPAC5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide
SMILESCc1cc(C(=O)NC2(c3ccccc3F)CCC2)ncc1C#N
InChIInChI=1S/C18H16FN3O/c1-12-9-16(21-11-13(12)10-20)17(23)22-18(7-4-8-18)14-5-2-3-6-15(14)19/h2-3,5-6,9,11H,4,7-8H2,1H3,(H,22,23)
InChIKeyVATHFYDOFNNNHS-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.21
Rot. Bonds3

About 5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide

5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide (PubChem CID 146092931) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide
PubChem CID146092931
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide
SMILESCc1cc(C(=O)NC2(c3ccccc3F)CCC2)ncc1C#N
InChIInChI=1S/C18H16FN3O/c1-12-9-16(21-11-13(12)10-20)17(23)22-18(7-4-8-18)14-5-2-3-6-15(14)19/h2-3,5-6,9,11H,4,7-8H2,1H3,(H,22,23)
InChIKeyVATHFYDOFNNNHS-UHFFFAOYSA-N
XLogP3.21
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[1-(2-fluorophenyl)cyclopropyl]carbamoyl]pyridine-2-carboxylic acid
CID 119136012
3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide
CID 146090668
N-[1-(2-fluorophenyl)cyclopropyl]-6-methylpyridine-2-carboxamide
CID 110462508
N-[3-(2-fluorophenyl)oxetan-3-yl]-5-methylpyrazine-2-carboxamide
CID 138024731
2-fluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
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5-[[1-(2,4-difluorophenyl)cyclobutyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120690311
2,3,4-trifluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110445767
3-tert-butyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide
CID 95807138
N-[1-(2-fluorophenyl)cyclobutyl]pyrrolidine-1-carboxamide
CID 110469855
5-cyano-4-methyl-N-[(2R,4R)-2-methyl-3,4-dihydro-2H-chromen-4-yl]pyridine-2-carboxamide
CID 167750989
3-cyclopropyl-N-[1-(2-fluorophenyl)cyclopentyl]-1-methylpyrazole-5-carboxamide
CID 46963795
1-[1-(2-fluorophenyl)cyclobutyl]-3-(2-methoxyethyl)urea
CID 110469859

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide (CID 146092931) is 5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide is Cc1cc(C(=O)NC2(c3ccccc3F)CCC2)ncc1C#N.
What is the InChIKey of 5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide?
The InChIKey is VATHFYDOFNNNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-12-9-16(21-11-13(12)10-20)17(23)22-18(7-4-8-18)14-5-2-3-6-15(14)19/h2-3,5-6,9,11H,4,7-8H2,1H3,(H,22,23).
What are the key properties of 5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide?
5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[1-(2-fluorophenyl)cyclobutyl]-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 146092931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).