5-(2-methylphenyl)-N-(oxan-4-yl)pyridine-2-carboxamide

C18H20N2O2 — CID 138033939

IUPAC5-(2-methylphenyl)-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESCc1ccccc1-c1ccc(C(=O)NC2CCOCC2)nc1
InChIInChI=1S/C18H20N2O2/c1-13-4-2-3-5-16(13)14-6-7-17(19-12-14)18(21)20-15-8-10-22-11-9-15/h2-7,12,15H,8-11H2,1H3,(H,20,21)
InChIKeyIIPPVGCHKJRWGX-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.97
Rot. Bonds3

About 5-(2-methylphenyl)-N-(oxan-4-yl)pyridine-2-carboxamide

5-(2-methylphenyl)-N-(oxan-4-yl)pyridine-2-carboxamide (PubChem CID 138033939) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(2-methylphenyl)-N-(oxan-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-methylphenyl)-N-(oxan-4-yl)pyridine-2-carboxamide
PubChem CID138033939
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name5-(2-methylphenyl)-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESCc1ccccc1-c1ccc(C(=O)NC2CCOCC2)nc1
InChIInChI=1S/C18H20N2O2/c1-13-4-2-3-5-16(13)14-6-7-17(19-12-14)18(21)20-15-8-10-22-11-9-15/h2-7,12,15H,8-11H2,1H3,(H,20,21)
InChIKeyIIPPVGCHKJRWGX-UHFFFAOYSA-N
XLogP2.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-N-(oxan-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-(2-methylphenyl)-N-(oxan-4-yl)pyridine-2-carboxamide (CID 138033939) is 5-(2-methylphenyl)-N-(oxan-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-methylphenyl)-N-(oxan-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-(2-methylphenyl)-N-(oxan-4-yl)pyridine-2-carboxamide is Cc1ccccc1-c1ccc(C(=O)NC2CCOCC2)nc1.
What is the InChIKey of 5-(2-methylphenyl)-N-(oxan-4-yl)pyridine-2-carboxamide?
The InChIKey is IIPPVGCHKJRWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-4-2-3-5-16(13)14-6-7-17(19-12-14)18(21)20-15-8-10-22-11-9-15/h2-7,12,15H,8-11H2,1H3,(H,20,21).
What are the key properties of 5-(2-methylphenyl)-N-(oxan-4-yl)pyridine-2-carboxamide?
5-(2-methylphenyl)-N-(oxan-4-yl)pyridine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-N-(oxan-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 138033939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).