6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide

C17H20N2O3 — CID 86986073

IUPAC6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)NC2CCCc3occc32)cn1
InChIInChI=1S/C17H20N2O3/c1-11(2)22-16-7-6-12(10-18-16)17(20)19-14-4-3-5-15-13(14)8-9-21-15/h6-11,14H,3-5H2,1-2H3,(H,19,20)
InChIKeyMJOALKDXKQLXDG-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.27
Rot. Bonds4

About 6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide

6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide (PubChem CID 86986073) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
PubChem CID86986073
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)NC2CCCc3occc32)cn1
InChIInChI=1S/C17H20N2O3/c1-11(2)22-16-7-6-12(10-18-16)17(20)19-14-4-3-5-15-13(14)8-9-21-15/h6-11,14H,3-5H2,1-2H3,(H,19,20)
InChIKeyMJOALKDXKQLXDG-UHFFFAOYSA-N
XLogP3.27
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide (CID 86986073) is 6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide is CC(C)Oc1ccc(C(=O)NC2CCCc3occc32)cn1.
What is the InChIKey of 6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide?
The InChIKey is MJOALKDXKQLXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(2)22-16-7-6-12(10-18-16)17(20)19-14-4-3-5-15-13(14)8-9-21-15/h6-11,14H,3-5H2,1-2H3,(H,19,20).
What are the key properties of 6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide?
6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 86986073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).