5-(furan-2-yl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide

C13H14N2O3 — CID 168738387

IUPAC5-(furan-2-yl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide
SMILESCc1c(C(N)=O)c(=O)c(-c2ccco2)c(C)n1C
InChIInChI=1S/C13H14N2O3/c1-7-10(9-5-4-6-18-9)12(16)11(13(14)17)8(2)15(7)3/h4-6H,1-3H3,(H2,14,17)
InChIKeyKHXXOXNTNHPAEG-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.36
Rot. Bonds2

About 5-(furan-2-yl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide

5-(furan-2-yl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide (PubChem CID 168738387) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(furan-2-yl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide
PubChem CID168738387
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-(furan-2-yl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide
SMILESCc1c(C(N)=O)c(=O)c(-c2ccco2)c(C)n1C
InChIInChI=1S/C13H14N2O3/c1-7-10(9-5-4-6-18-9)12(16)11(13(14)17)8(2)15(7)3/h4-6H,1-3H3,(H2,14,17)
InChIKeyKHXXOXNTNHPAEG-UHFFFAOYSA-N
XLogP1.36
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide (CID 168738387) is 5-(furan-2-yl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide is Cc1c(C(N)=O)c(=O)c(-c2ccco2)c(C)n1C.
What is the InChIKey of 5-(furan-2-yl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is KHXXOXNTNHPAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-7-10(9-5-4-6-18-9)12(16)11(13(14)17)8(2)15(7)3/h4-6H,1-3H3,(H2,14,17).
What are the key properties of 5-(furan-2-yl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide?
5-(furan-2-yl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1,2,6-trimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 168738387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).