N-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide

C13H13NO4 — CID 757680

IUPACN-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCc1ccco1
InChIInChI=1S/C13H13NO4/c1-8-6-11(15)18-9(2)12(8)13(16)14-7-10-4-3-5-17-10/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyNGUNQAYTVWPXOJ-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.78
Rot. Bonds3

About N-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide

N-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 757680) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID757680
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC NameN-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCc1ccco1
InChIInChI=1S/C13H13NO4/c1-8-6-11(15)18-9(2)12(8)13(16)14-7-10-4-3-5-17-10/h3-6H,7H2,1-2H3,(H,14,16)
InChIKeyNGUNQAYTVWPXOJ-UHFFFAOYSA-N
XLogP1.78
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 757680) is N-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is NGUNQAYTVWPXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-8-6-11(15)18-9(2)12(8)13(16)14-7-10-4-3-5-17-10/h3-6H,7H2,1-2H3,(H,14,16).
What are the key properties of N-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 757680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).