N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclobutanamine

C16H18FN3O — CID 54582797

IUPACN-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclobutanamine
SMILESCOc1cc(F)ccc1-c1cncc(CNC2CCC2)n1
InChIInChI=1S/C16H18FN3O/c1-21-16-7-11(17)5-6-14(16)15-10-18-8-13(20-15)9-19-12-3-2-4-12/h5-8,10,12,19H,2-4,9H2,1H3
InChIKeyOQPJQHPICGWISK-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.93
Rot. Bonds5

About N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclobutanamine

N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclobutanamine (PubChem CID 54582797) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclobutanamine
PubChem CID54582797
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclobutanamine
SMILESCOc1cc(F)ccc1-c1cncc(CNC2CCC2)n1
InChIInChI=1S/C16H18FN3O/c1-21-16-7-11(17)5-6-14(16)15-10-18-8-13(20-15)9-19-12-3-2-4-12/h5-8,10,12,19H,2-4,9H2,1H3
InChIKeyOQPJQHPICGWISK-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide
CID 11210019
N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide
CID 11221120
(E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 6215469
1-(2-(2-Ethoxyphenyl)-1-(pyridin-3-yl)ethyl)piperazine
CID 44414809
1-(6-(2-Methoxyphenyl)pyridin-3-yl)-3-(4-(piperidin-1-yl)butyl)urea
CID 44611611
N-((5-(4-fluoro-2-methoxyphenyl)pyridin-3-yl)methyl)cyclopentanamine
CID 53248849
N-(pyridin-3-yl)-3-(3-fluorophenyl)-4-methoxybenzylamine
CID 141732282
2-(2-Methoxyphenyl)pyridine
CID 231605
(2,3-Dimethoxy-benzyl)-pyridin-2-ylmethyl-amine
CID 871284
(2-Allyloxy-benzyl)-pyridin-3-ylmethyl-amine hydrochloride
CID 2958593
N'-(2-methoxybenzylidene)-2-pyridinecarboximidohydrazide
CID 5568682
2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]pyrazine
CID 44362288

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclobutanamine?
The IUPAC name of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclobutanamine (CID 54582797) is N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclobutanamine?
The canonical SMILES for N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclobutanamine is COc1cc(F)ccc1-c1cncc(CNC2CCC2)n1.
What is the InChIKey of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclobutanamine?
The InChIKey is OQPJQHPICGWISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-21-16-7-11(17)5-6-14(16)15-10-18-8-13(20-15)9-19-12-3-2-4-12/h5-8,10,12,19H,2-4,9H2,1H3.
What are the key properties of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclobutanamine?
N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclobutanamine has a molecular weight of 287.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclobutanamine is sourced from PubChem (CID 54582797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).