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

C18H15FN2O — CID 89478605

IUPAC3-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide
SMILESNC(=O)c1ncc(C#Cc2cccc(F)c2)cc1C1CCC1
InChIInChI=1S/C18H15FN2O/c19-15-6-1-3-12(9-15)7-8-13-10-16(14-4-2-5-14)17(18(20)22)21-11-13/h1,3,6,9-11,14H,2,4-5H2,(H2,20,22)
InChIKeyRHBPRUFBTCDDSU-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.99
Rot. Bonds2

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

3-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide (PubChem CID 89478605) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide
PubChem CID89478605
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name3-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide
SMILESNC(=O)c1ncc(C#Cc2cccc(F)c2)cc1C1CCC1
InChIInChI=1S/C18H15FN2O/c19-15-6-1-3-12(9-15)7-8-13-10-16(14-4-2-5-14)17(18(20)22)21-11-13/h1,3,6,9-11,14H,2,4-5H2,(H2,20,22)
InChIKeyRHBPRUFBTCDDSU-UHFFFAOYSA-N
XLogP2.99
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide?
The IUPAC name of 3-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide (CID 89478605) is 3-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide?
The canonical SMILES for 3-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide is NC(=O)c1ncc(C#Cc2cccc(F)c2)cc1C1CCC1.
What is the InChIKey of 3-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide?
The InChIKey is RHBPRUFBTCDDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-15-6-1-3-12(9-15)7-8-13-10-16(14-4-2-5-14)17(18(20)22)21-11-13/h1,3,6,9-11,14H,2,4-5H2,(H2,20,22).
What are the key properties of 3-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide?
3-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide is sourced from PubChem (CID 89478605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).