6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide

C19H20N2O3 — CID 51597055

IUPAC6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)N[C@H](C)Cc3ccccn3)oc2c1
InChIInChI=1S/C19H20N2O3/c1-12(10-14-6-4-5-9-20-14)21-19(22)18-13(2)16-8-7-15(23-3)11-17(16)24-18/h4-9,11-12H,10H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyBWFFIMOCEIRVHG-GFCCVEGCSA-N
MW324.38 g/mol
LogP3.51
Rot. Bonds5

About 6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide

6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 51597055) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide
PubChem CID51597055
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)N[C@H](C)Cc3ccccn3)oc2c1
InChIInChI=1S/C19H20N2O3/c1-12(10-14-6-4-5-9-20-14)21-19(22)18-13(2)16-8-7-15(23-3)11-17(16)24-18/h4-9,11-12H,10H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeyBWFFIMOCEIRVHG-GFCCVEGCSA-N
XLogP3.51
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide (CID 51597055) is 6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide is COc1ccc2c(C)c(C(=O)N[C@H](C)Cc3ccccn3)oc2c1.
What is the InChIKey of 6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is BWFFIMOCEIRVHG-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(10-14-6-4-5-9-20-14)21-19(22)18-13(2)16-8-7-15(23-3)11-17(16)24-18/h4-9,11-12H,10H2,1-3H3,(H,21,22)/t12-/m1/s1.
What are the key properties of 6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide?
6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51597055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).