1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one

C15H18N2O2 — CID 115466360

IUPAC1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one
SMILESCCn1cc(NC2CCCc3occc32)ccc1=O
InChIInChI=1S/C15H18N2O2/c1-2-17-10-11(6-7-15(17)18)16-13-4-3-5-14-12(13)8-9-19-14/h6-10,13,16H,2-5H2,1H3
InChIKeyRBIGXVAERHCVDF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.95
Rot. Bonds3

About 1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one

1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one (PubChem CID 115466360) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one
PubChem CID115466360
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one
SMILESCCn1cc(NC2CCCc3occc32)ccc1=O
InChIInChI=1S/C15H18N2O2/c1-2-17-10-11(6-7-15(17)18)16-13-4-3-5-14-12(13)8-9-19-14/h6-10,13,16H,2-5H2,1H3
InChIKeyRBIGXVAERHCVDF-UHFFFAOYSA-N
XLogP2.95
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one?
The IUPAC name of 1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one (CID 115466360) is 1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one?
The canonical SMILES for 1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one is CCn1cc(NC2CCCc3occc32)ccc1=O.
What is the InChIKey of 1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one?
The InChIKey is RBIGXVAERHCVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-17-10-11(6-7-15(17)18)16-13-4-3-5-14-12(13)8-9-19-14/h6-10,13,16H,2-5H2,1H3.
What are the key properties of 1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one?
1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)pyridin-2-one is sourced from PubChem (CID 115466360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).