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

C18H16ClFN2O — CID 53384878

IUPACN-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCC1)c1ccc(C#Cc2cccc(F)c2)cn1
InChIInChI=1S/C18H15FN2O.ClH/c19-15-4-1-3-13(11-15)7-8-14-9-10-17(20-12-14)18(22)21-16-5-2-6-16;/h1,3-4,9-12,16H,2,5-6H2,(H,21,22);1H
InChIKeyISLSQPVNTBEEGI-UHFFFAOYSA-N
MW330.79 g/mol
LogP3.32
Rot. Bonds2

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

N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride (PubChem CID 53384878) has the molecular formula C18H16ClFN2O and a molecular weight of 330.79 g/mol. Its IUPAC name is N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride
PubChem CID53384878
Molecular FormulaC18H16ClFN2O
Molecular Weight330.79 g/mol
Exact Mass330.09
IUPAC NameN-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCC1)c1ccc(C#Cc2cccc(F)c2)cn1
InChIInChI=1S/C18H15FN2O.ClH/c19-15-4-1-3-13(11-15)7-8-14-9-10-17(20-12-14)18(22)21-16-5-2-6-16;/h1,3-4,9-12,16H,2,5-6H2,(H,21,22);1H
InChIKeyISLSQPVNTBEEGI-UHFFFAOYSA-N
XLogP3.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 53.32
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

N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide
CID 53384850
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
methyl 5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxylate
CID 90103011
5-[2-(3-fluorophenyl)ethynyl]-N-(3-hydroxy-3-methylbutyl)pyridine-2-carboxamide
CID 72711274
5-[2-(3-fluorophenyl)ethynyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 72711046
[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 53384866
5-[2-(3-fluorophenyl)ethynyl]-N,N-dimethylpyridine-2-carboxamide
CID 70789088
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645
(4,4-difluoropiperidin-1-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone
CID 70789102
N-cyclobutyl-5-(3-prop-1-enylhexa-3,5-dien-1-ynyl)pyridine-2-carboxamide
CID 123485946
5-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)pyridine-2-carboxamide
CID 62960061
N-cyclobutyl-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 144981703

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride (CID 53384878) is N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride is Cl.O=C(NC1CCC1)c1ccc(C#Cc2cccc(F)c2)cn1.
What is the InChIKey of N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is ISLSQPVNTBEEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O.ClH/c19-15-4-1-3-13(11-15)7-8-14-9-10-17(20-12-14)18(22)21-16-5-2-6-16;/h1,3-4,9-12,16H,2,5-6H2,(H,21,22);1H.
What are the key properties of N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride?
N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 330.79 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[2-(3-fluorophenyl)ethynyl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 53384878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).