5-[2-(3-fluorophenyl)ethynyl]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide

C19H17FN2O2 — CID 72711501

IUPAC5-[2-(3-fluorophenyl)ethynyl]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide
SMILESCC1(CNC(=O)c2ccc(C#Cc3cccc(F)c3)cn2)COC1
InChIInChI=1S/C19H17FN2O2/c1-19(12-24-13-19)11-22-18(23)17-8-7-15(10-21-17)6-5-14-3-2-4-16(20)9-14/h2-4,7-10H,11-13H2,1H3,(H,22,23)
InChIKeyMZEPXQVBTLRNCM-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.39
Rot. Bonds3

About 5-[2-(3-fluorophenyl)ethynyl]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide

5-[2-(3-fluorophenyl)ethynyl]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 72711501) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 5-[2-(3-fluorophenyl)ethynyl]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(3-fluorophenyl)ethynyl]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide
PubChem CID72711501
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name5-[2-(3-fluorophenyl)ethynyl]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide
SMILESCC1(CNC(=O)c2ccc(C#Cc3cccc(F)c3)cn2)COC1
InChIInChI=1S/C19H17FN2O2/c1-19(12-24-13-19)11-22-18(23)17-8-7-15(10-21-17)6-5-14-3-2-4-16(20)9-14/h2-4,7-10H,11-13H2,1H3,(H,22,23)
InChIKeyMZEPXQVBTLRNCM-UHFFFAOYSA-N
XLogP2.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
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 5-[2-(3-fluorophenyl)ethynyl]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[2-(3-fluorophenyl)ethynyl]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide (CID 72711501) is 5-[2-(3-fluorophenyl)ethynyl]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(3-fluorophenyl)ethynyl]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(3-fluorophenyl)ethynyl]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide is CC1(CNC(=O)c2ccc(C#Cc3cccc(F)c3)cn2)COC1.
What is the InChIKey of 5-[2-(3-fluorophenyl)ethynyl]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is MZEPXQVBTLRNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-19(12-24-13-19)11-22-18(23)17-8-7-15(10-21-17)6-5-14-3-2-4-16(20)9-14/h2-4,7-10H,11-13H2,1H3,(H,22,23).
What are the key properties of 5-[2-(3-fluorophenyl)ethynyl]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide?
5-[2-(3-fluorophenyl)ethynyl]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-fluorophenyl)ethynyl]-N-[(3-methyloxetan-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 72711501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).