6-tert-butyl-N,1-dimethyl-2-oxopyridine-3-carboxamide

C12H18N2O2 — CID 166717743

IUPAC6-tert-butyl-N,1-dimethyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(C(C)(C)C)n(C)c1=O
InChIInChI=1S/C12H18N2O2/c1-12(2,3)9-7-6-8(10(15)13-4)11(16)14(9)5/h6-7H,1-5H3,(H,13,15)
InChIKeyCLYRFKCCQMDAJM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.04
Rot. Bonds1

About 6-tert-butyl-N,1-dimethyl-2-oxopyridine-3-carboxamide

6-tert-butyl-N,1-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 166717743) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-tert-butyl-N,1-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N,1-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID166717743
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-tert-butyl-N,1-dimethyl-2-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(C(C)(C)C)n(C)c1=O
InChIInChI=1S/C12H18N2O2/c1-12(2,3)9-7-6-8(10(15)13-4)11(16)14(9)5/h6-7H,1-5H3,(H,13,15)
InChIKeyCLYRFKCCQMDAJM-UHFFFAOYSA-N
XLogP1.04
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpropanamide
CID 41506759
3-(Aminomethyl)-6-tert-butyl-1,2-dihydropyridin-2-one hydrochloride
CID 126809337
3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-diethylurea
CID 60472215
2-(diethylamino)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 72047413
3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1,1-dimethylurea
CID 72060937
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpent-2-enamide
CID 72155658
4,6-Di-tert-butyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 86207835
N,5,6-trimethyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 97894384
N-methyl-N-(2-methylprop-2-enyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
CID 132377417
N-Methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)-1,2-dihydropyridine-3-carboxamide
CID 59828241
6-ethyl-N,5-dimethyl-2-oxo-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 68082881
1-Methyl-2-oxo-6-(1,1,2,2-tetrafluoroethyl)pyridine-3-carboxamide
CID 157299113

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 6-tert-butyl-N,1-dimethyl-2-oxopyridine-3-carboxamide (CID 166717743) is 6-tert-butyl-N,1-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 6-tert-butyl-N,1-dimethyl-2-oxopyridine-3-carboxamide is CNC(=O)c1ccc(C(C)(C)C)n(C)c1=O.
What is the InChIKey of 6-tert-butyl-N,1-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is CLYRFKCCQMDAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)9-7-6-8(10(15)13-4)11(16)14(9)5/h6-7H,1-5H3,(H,13,15).
What are the key properties of 6-tert-butyl-N,1-dimethyl-2-oxopyridine-3-carboxamide?
6-tert-butyl-N,1-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N,1-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 166717743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).