5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide

C18H17FN2O — CID 72711046

IUPAC5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(C#Cc2cccc(F)c2)cn1
InChIInChI=1S/C18H17FN2O/c1-13(2)11-21-18(22)17-9-8-15(12-20-17)7-6-14-4-3-5-16(19)10-14/h3-5,8-10,12-13H,11H2,1-2H3,(H,21,22)
InChIKeyYLAFSFQLRMWFKO-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.01
Rot. Bonds3

About 5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide

5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 72711046) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID72711046
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(C#Cc2cccc(F)c2)cn1
InChIInChI=1S/C18H17FN2O/c1-13(2)11-21-18(22)17-9-8-15(12-20-17)7-6-14-4-3-5-16(19)10-14/h3-5,8-10,12-13H,11H2,1-2H3,(H,21,22)
InChIKeyYLAFSFQLRMWFKO-UHFFFAOYSA-N
XLogP3.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3-fluorophenyl)ethynyl]-N-(3-hydroxy-3-methylbutyl)pyridine-2-carboxamide
CID 72711274
methyl 5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxylate
CID 90103011
5-[2-(3-fluorophenyl)ethynyl]-N,N-dimethylpyridine-2-carboxamide
CID 70789088
N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide
CID 53384850
N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride
CID 53384878
[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 53384866
N-tert-butyl-5-[2-(3-chlorophenyl)ethynyl]-N-ethylpyridine-2-carboxamide;N-tert-butyl-N-ethyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide
CID 122583312
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 55152684
5-[2-(3-fluorophenyl)ethynyl]-N-methyl-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide;5-[2-(3-fluorophenyl)ethynyl]-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 159600090
5-cyano-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 63718583
N-(3-fluorophenyl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 62959691
5-(3-aminoprop-1-ynyl)-N-(2-methoxypropyl)pyridine-2-carboxamide
CID 102700221

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide (CID 72711046) is 5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide is CC(C)CNC(=O)c1ccc(C#Cc2cccc(F)c2)cn1.
What is the InChIKey of 5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is YLAFSFQLRMWFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-13(2)11-21-18(22)17-9-8-15(12-20-17)7-6-14-4-3-5-16(19)10-14/h3-5,8-10,12-13H,11H2,1-2H3,(H,21,22).
What are the key properties of 5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide?
5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 72711046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).