2,6-dimethyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide

C13H14N2O3 — CID 175841779

IUPAC2,6-dimethyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(-c2c(C)[nH]c(C)c(C(N)=O)c2=O)o1
InChIInChI=1S/C13H14N2O3/c1-6-4-5-9(18-6)10-7(2)15-8(3)11(12(10)16)13(14)17/h4-5H,1-3H3,(H2,14,17)(H,15,16)
InChIKeyXHKULOONQBGDPG-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.66
Rot. Bonds2

About 2,6-dimethyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide

2,6-dimethyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 175841779) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2,6-dimethyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID175841779
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2,6-dimethyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(-c2c(C)[nH]c(C)c(C(N)=O)c2=O)o1
InChIInChI=1S/C13H14N2O3/c1-6-4-5-9(18-6)10-7(2)15-8(3)11(12(10)16)13(14)17/h4-5H,1-3H3,(H2,14,17)(H,15,16)
InChIKeyXHKULOONQBGDPG-UHFFFAOYSA-N
XLogP1.66
TPSA89.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide (CID 175841779) is 2,6-dimethyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide is Cc1ccc(-c2c(C)[nH]c(C)c(C(N)=O)c2=O)o1.
What is the InChIKey of 2,6-dimethyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XHKULOONQBGDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-6-4-5-9(18-6)10-7(2)15-8(3)11(12(10)16)13(14)17/h4-5H,1-3H3,(H2,14,17)(H,15,16).
What are the key properties of 2,6-dimethyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide?
2,6-dimethyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-(5-methylfuran-2-yl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 175841779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).