[6-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C19H22N4O2 — CID 56713381

IUPAC[6-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc2c(c(-c3cncc(C(=O)N4CCCC4)n3)c1)OC(CN)C2
InChIInChI=1S/C19H22N4O2/c1-12-6-13-8-14(9-20)25-18(13)15(7-12)16-10-21-11-17(22-16)19(24)23-4-2-3-5-23/h6-7,10-11,14H,2-5,8-9,20H2,1H3
InChIKeyUUUJAGTWEVBSCI-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.95
Rot. Bonds3

About [6-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56713381) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [6-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID56713381
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[6-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc2c(c(-c3cncc(C(=O)N4CCCC4)n3)c1)OC(CN)C2
InChIInChI=1S/C19H22N4O2/c1-12-6-13-8-14(9-20)25-18(13)15(7-12)16-10-21-11-17(22-16)19(24)23-4-2-3-5-23/h6-7,10-11,14H,2-5,8-9,20H2,1H3
InChIKeyUUUJAGTWEVBSCI-UHFFFAOYSA-N
XLogP1.95
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 56713381) is [6-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is Cc1cc2c(c(-c3cncc(C(=O)N4CCCC4)n3)c1)OC(CN)C2.
What is the InChIKey of [6-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UUUJAGTWEVBSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-6-13-8-14(9-20)25-18(13)15(7-12)16-10-21-11-17(22-16)19(24)23-4-2-3-5-23/h6-7,10-11,14H,2-5,8-9,20H2,1H3.
What are the key properties of [6-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 338.41 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(aminomethyl)-5-methyl-2,3-dihydro-1-benzofuran-7-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56713381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).