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

C17H20FN3O — CID 54582798

IUPACN-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopentanamine
SMILESCOc1cc(F)ccc1-c1cncc(CNC2CCCC2)n1
InChIInChI=1S/C17H20FN3O/c1-22-17-8-12(18)6-7-15(17)16-11-19-9-14(21-16)10-20-13-4-2-3-5-13/h6-9,11,13,20H,2-5,10H2,1H3
InChIKeyNUNBCOKRRSELLT-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.32
Rot. Bonds5

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

N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopentanamine (PubChem CID 54582798) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopentanamine
PubChem CID54582798
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC NameN-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopentanamine
SMILESCOc1cc(F)ccc1-c1cncc(CNC2CCCC2)n1
InChIInChI=1S/C17H20FN3O/c1-22-17-8-12(18)6-7-15(17)16-11-19-9-14(21-16)10-20-13-4-2-3-5-13/h6-9,11,13,20H,2-5,10H2,1H3
InChIKeyNUNBCOKRRSELLT-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopentanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopentanamine (CID 54582798) is N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopentanamine is COc1cc(F)ccc1-c1cncc(CNC2CCCC2)n1.
What is the InChIKey of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopentanamine?
The InChIKey is NUNBCOKRRSELLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-22-17-8-12(18)6-7-15(17)16-11-19-9-14(21-16)10-20-13-4-2-3-5-13/h6-9,11,13,20H,2-5,10H2,1H3.
What are the key properties of N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopentanamine?
N-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]methyl]cyclopentanamine has a molecular weight of 301.37 g/mol, XLogP of 3.32, 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]cyclopentanamine is sourced from PubChem (CID 54582798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).