6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C16H20N2O4 — CID 125139391

IUPAC6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(C)[C@H](CO)NC(=O)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C16H20N2O4/c1-16(2,3)13(9-19)18-15(21)10-6-7-11(17-14(10)20)12-5-4-8-22-12/h4-8,13,19H,9H2,1-3H3,(H,17,20)(H,18,21)/t13-/m0/s1
InChIKeyJEPNWNSKGBHWQA-ZDUSSCGKSA-N
MW304.35 g/mol
LogP1.77
Rot. Bonds4

About 6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 125139391) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID125139391
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)(C)[C@H](CO)NC(=O)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C16H20N2O4/c1-16(2,3)13(9-19)18-15(21)10-6-7-11(17-14(10)20)12-5-4-8-22-12/h4-8,13,19H,9H2,1-3H3,(H,17,20)(H,18,21)/t13-/m0/s1
InChIKeyJEPNWNSKGBHWQA-ZDUSSCGKSA-N
XLogP1.77
TPSA95.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 125139391) is 6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is CC(C)(C)[C@H](CO)NC(=O)c1ccc(-c2ccco2)[nH]c1=O.
What is the InChIKey of 6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JEPNWNSKGBHWQA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-16(2,3)13(9-19)18-15(21)10-6-7-11(17-14(10)20)12-5-4-8-22-12/h4-8,13,19H,9H2,1-3H3,(H,17,20)(H,18,21)/t13-/m0/s1.
What are the key properties of 6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125139391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).