N-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide

C12H18N2O2 — CID 23404915

IUPACN-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide
SMILESCCc1cc[nH]c(=O)c1NC(=O)C(C)(C)C
InChIInChI=1S/C12H18N2O2/c1-5-8-6-7-13-10(15)9(8)14-11(16)12(2,3)4/h6-7H,5H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyCRWSUNCTNOWETN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.92
Rot. Bonds2

About N-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide

N-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide (PubChem CID 23404915) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide
PubChem CID23404915
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide
SMILESCCc1cc[nH]c(=O)c1NC(=O)C(C)(C)C
InChIInChI=1S/C12H18N2O2/c1-5-8-6-7-13-10(15)9(8)14-11(16)12(2,3)4/h6-7H,5H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyCRWSUNCTNOWETN-UHFFFAOYSA-N
XLogP1.92
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide (CID 23404915) is N-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide is CCc1cc[nH]c(=O)c1NC(=O)C(C)(C)C.
What is the InChIKey of N-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide?
The InChIKey is CRWSUNCTNOWETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-5-8-6-7-13-10(15)9(8)14-11(16)12(2,3)4/h6-7H,5H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of N-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide?
N-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2-oxo-1H-pyridin-3-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 23404915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).