N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide

C18H15FN2O — CID 53318624

IUPACN-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC1)c1ccc(C#Cc2cccc(F)c2)nc1
InChIInChI=1S/C18H15FN2O/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22)
InChIKeyNEMHWVUKNWAKTM-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.90
Rot. Bonds2

About N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide

N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide (PubChem CID 53318624) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide
PubChem CID53318624
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC NameN-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC1)c1ccc(C#Cc2cccc(F)c2)nc1
InChIInChI=1S/C18H15FN2O/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22)
InChIKeyNEMHWVUKNWAKTM-UHFFFAOYSA-N
XLogP2.90
TPSA41.99 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 ≤ 52.90
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 N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide?
The IUPAC name of N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide (CID 53318624) is N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide is O=C(NC1CCC1)c1ccc(C#Cc2cccc(F)c2)nc1.
What is the InChIKey of N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide?
The InChIKey is NEMHWVUKNWAKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22).
What are the key properties of N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide?
N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-6-[2-(3-fluorophenyl)ethynyl]pyridine-3-carboxamide is sourced from PubChem (CID 53318624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).