3-fluoro-N-methyl-N-(3-methyloxetan-3-yl)-5-(2-phenylethynyl)pyridine-2-carboxamide

C19H17FN2O2 — CID 66571420

IUPAC3-fluoro-N-methyl-N-(3-methyloxetan-3-yl)-5-(2-phenylethynyl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ncc(C#Cc2ccccc2)cc1F)C1(C)COC1
InChIInChI=1S/C19H17FN2O2/c1-19(12-24-13-19)22(2)18(23)17-16(20)10-15(11-21-17)9-8-14-6-4-3-5-7-14/h3-7,10-11H,12-13H2,1-2H3
InChIKeyVSTXCBOSSJUUBD-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.48
Rot. Bonds2

About 3-fluoro-N-methyl-N-(3-methyloxetan-3-yl)-5-(2-phenylethynyl)pyridine-2-carboxamide

3-fluoro-N-methyl-N-(3-methyloxetan-3-yl)-5-(2-phenylethynyl)pyridine-2-carboxamide (PubChem CID 66571420) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(3-methyloxetan-3-yl)-5-(2-phenylethynyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(3-methyloxetan-3-yl)-5-(2-phenylethynyl)pyridine-2-carboxamide
PubChem CID66571420
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name3-fluoro-N-methyl-N-(3-methyloxetan-3-yl)-5-(2-phenylethynyl)pyridine-2-carboxamide
SMILESCN(C(=O)c1ncc(C#Cc2ccccc2)cc1F)C1(C)COC1
InChIInChI=1S/C19H17FN2O2/c1-19(12-24-13-19)22(2)18(23)17-16(20)10-15(11-21-17)9-8-14-6-4-3-5-7-14/h3-7,10-11H,12-13H2,1-2H3
InChIKeyVSTXCBOSSJUUBD-UHFFFAOYSA-N
XLogP2.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(3-methyloxetan-3-yl)-5-(2-phenylethynyl)pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-N-(3-methyloxetan-3-yl)-5-(2-phenylethynyl)pyridine-2-carboxamide (CID 66571420) is 3-fluoro-N-methyl-N-(3-methyloxetan-3-yl)-5-(2-phenylethynyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-(3-methyloxetan-3-yl)-5-(2-phenylethynyl)pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-N-(3-methyloxetan-3-yl)-5-(2-phenylethynyl)pyridine-2-carboxamide is CN(C(=O)c1ncc(C#Cc2ccccc2)cc1F)C1(C)COC1.
What is the InChIKey of 3-fluoro-N-methyl-N-(3-methyloxetan-3-yl)-5-(2-phenylethynyl)pyridine-2-carboxamide?
The InChIKey is VSTXCBOSSJUUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-19(12-24-13-19)22(2)18(23)17-16(20)10-15(11-21-17)9-8-14-6-4-3-5-7-14/h3-7,10-11H,12-13H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-N-(3-methyloxetan-3-yl)-5-(2-phenylethynyl)pyridine-2-carboxamide?
3-fluoro-N-methyl-N-(3-methyloxetan-3-yl)-5-(2-phenylethynyl)pyridine-2-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(3-methyloxetan-3-yl)-5-(2-phenylethynyl)pyridine-2-carboxamide is sourced from PubChem (CID 66571420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).