2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine

C20H20N4O — CID 110256256

IUPAC2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
SMILESc1ccc(Oc2cncc(C3CCCN3Cc3ccncc3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-2-5-17(6-3-1)25-20-14-22-13-18(23-20)19-7-4-12-24(19)15-16-8-10-21-11-9-16/h1-3,5-6,8-11,13-14,19H,4,7,12,15H2
InChIKeyOQKONZJYJKMGGE-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.00
Rot. Bonds5

About 2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine

2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine (PubChem CID 110256256) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine.

Molecular Properties

Compound Name2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
PubChem CID110256256
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
SMILESc1ccc(Oc2cncc(C3CCCN3Cc3ccncc3)n2)cc1
InChIInChI=1S/C20H20N4O/c1-2-5-17(6-3-1)25-20-14-22-13-18(23-20)19-7-4-12-24(19)15-16-8-10-21-11-9-16/h1-3,5-6,8-11,13-14,19H,4,7,12,15H2
InChIKeyOQKONZJYJKMGGE-UHFFFAOYSA-N
XLogP4.00
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95843466
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222
2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine
CID 95844172
N,N-dimethyl-1-[6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methanamine
CID 110116694
2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110270026
2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95843435
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95843583
2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine
CID 110270220
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
4-[[(2S)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]pyridine
CID 91653959
[(2R)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 95843678

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine?
The IUPAC name of 2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine (CID 110256256) is 2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine.
What is the SMILES notation for 2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine?
The canonical SMILES for 2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine is c1ccc(Oc2cncc(C3CCCN3Cc3ccncc3)n2)cc1.
What is the InChIKey of 2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine?
The InChIKey is OQKONZJYJKMGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-5-17(6-3-1)25-20-14-22-13-18(23-20)19-7-4-12-24(19)15-16-8-10-21-11-9-16/h1-3,5-6,8-11,13-14,19H,4,7,12,15H2.
What are the key properties of 2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine?
2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine has a molecular weight of 332.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine is sourced from PubChem (CID 110256256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).