5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one

C16H18N2O2 — CID 106701000

IUPAC5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one
SMILESCn1cc(NC2c3ccccc3OC2(C)C)ccc1=O
InChIInChI=1S/C16H18N2O2/c1-16(2)15(12-6-4-5-7-13(12)20-16)17-11-8-9-14(19)18(3)10-11/h4-10,15,17H,1-3H3
InChIKeyKJMMDMQFYJQDLV-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.71
Rot. Bonds2

About 5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one

5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one (PubChem CID 106701000) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one
PubChem CID106701000
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one
SMILESCn1cc(NC2c3ccccc3OC2(C)C)ccc1=O
InChIInChI=1S/C16H18N2O2/c1-16(2)15(12-6-4-5-7-13(12)20-16)17-11-8-9-14(19)18(3)10-11/h4-10,15,17H,1-3H3
InChIKeyKJMMDMQFYJQDLV-UHFFFAOYSA-N
XLogP2.71
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one?
The IUPAC name of 5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one (CID 106701000) is 5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one is Cn1cc(NC2c3ccccc3OC2(C)C)ccc1=O.
What is the InChIKey of 5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one?
The InChIKey is KJMMDMQFYJQDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-16(2)15(12-6-4-5-7-13(12)20-16)17-11-8-9-14(19)18(3)10-11/h4-10,15,17H,1-3H3.
What are the key properties of 5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one?
5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one has a molecular weight of 270.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-1-methylpyridin-2-one is sourced from PubChem (CID 106701000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).