N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrazin-2-amine

C20H24N4O — CID 11522882

IUPACN-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrazin-2-amine
SMILESC[C@@H]1CCCN1CCc1cc2cc(CNc3cnccn3)ccc2o1
InChIInChI=1S/C20H24N4O/c1-15-3-2-9-24(15)10-6-18-12-17-11-16(4-5-19(17)25-18)13-23-20-14-21-7-8-22-20/h4-5,7-8,11-12,14-15H,2-3,6,9-10,13H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyJFYPHMTWSNCWID-OAHLLOKOSA-N
MW336.44 g/mol
LogP3.86
Rot. Bonds6

About N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrazin-2-amine

N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrazin-2-amine (PubChem CID 11522882) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrazin-2-amine
PubChem CID11522882
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrazin-2-amine
SMILESC[C@@H]1CCCN1CCc1cc2cc(CNc3cnccn3)ccc2o1
InChIInChI=1S/C20H24N4O/c1-15-3-2-9-24(15)10-6-18-12-17-11-16(4-5-19(17)25-18)13-23-20-14-21-7-8-22-20/h4-5,7-8,11-12,14-15H,2-3,6,9-10,13H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyJFYPHMTWSNCWID-OAHLLOKOSA-N
XLogP3.86
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrazin-2-amine (CID 11522882) is N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrazin-2-amine is C[C@@H]1CCCN1CCc1cc2cc(CNc3cnccn3)ccc2o1.
What is the InChIKey of N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrazin-2-amine?
The InChIKey is JFYPHMTWSNCWID-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4O/c1-15-3-2-9-24(15)10-6-18-12-17-11-16(4-5-19(17)25-18)13-23-20-14-21-7-8-22-20/h4-5,7-8,11-12,14-15H,2-3,6,9-10,13H2,1H3,(H,22,23)/t15-/m1/s1.
What are the key properties of N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrazin-2-amine?
N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrazin-2-amine has a molecular weight of 336.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 11522882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).