2,4-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide

C14H14N2O3 — CID 3240023

IUPAC2,4-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCc1ccccn1
InChIInChI=1S/C14H14N2O3/c1-9-7-12(17)19-10(2)13(9)14(18)16-8-11-5-3-4-6-15-11/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyJWNWDVCMUOPRJK-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.58
Rot. Bonds3

About 2,4-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide

2,4-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide (PubChem CID 3240023) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide
PubChem CID3240023
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2,4-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCc1ccccn1
InChIInChI=1S/C14H14N2O3/c1-9-7-12(17)19-10(2)13(9)14(18)16-8-11-5-3-4-6-15-11/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyJWNWDVCMUOPRJK-UHFFFAOYSA-N
XLogP1.58
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide (CID 3240023) is 2,4-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NCc1ccccn1.
What is the InChIKey of 2,4-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide?
The InChIKey is JWNWDVCMUOPRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-7-12(17)19-10(2)13(9)14(18)16-8-11-5-3-4-6-15-11/h3-7H,8H2,1-2H3,(H,16,18).
What are the key properties of 2,4-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide?
2,4-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-N-(pyridin-2-ylmethyl)pyran-3-carboxamide is sourced from PubChem (CID 3240023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).