3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide

C12H18N2O2 — CID 47067428

IUPAC3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
SMILESCn1cc(NC(=O)CC(C)(C)C)ccc1=O
InChIInChI=1S/C12H18N2O2/c1-12(2,3)7-10(15)13-9-5-6-11(16)14(4)8-9/h5-6,8H,7H2,1-4H3,(H,13,15)
InChIKeyHOLFENORCSXYPF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.76
Rot. Bonds2

About 3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide

3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide (PubChem CID 47067428) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
PubChem CID47067428
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
SMILESCn1cc(NC(=O)CC(C)(C)C)ccc1=O
InChIInChI=1S/C12H18N2O2/c1-12(2,3)7-10(15)13-9-5-6-11(16)14(4)8-9/h5-6,8H,7H2,1-4H3,(H,13,15)
InChIKeyHOLFENORCSXYPF-UHFFFAOYSA-N
XLogP1.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide (CID 47067428) is 3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide is Cn1cc(NC(=O)CC(C)(C)C)ccc1=O.
What is the InChIKey of 3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide?
The InChIKey is HOLFENORCSXYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,3)7-10(15)13-9-5-6-11(16)14(4)8-9/h5-6,8H,7H2,1-4H3,(H,13,15).
What are the key properties of 3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide?
3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)butanamide is sourced from PubChem (CID 47067428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).