N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide

C13H20N2O2 — CID 59268968

IUPACN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide
SMILESCCCCn1c(C)c(C)cc(NC(C)=O)c1=O
InChIInChI=1S/C13H20N2O2/c1-5-6-7-15-10(3)9(2)8-12(13(15)17)14-11(4)16/h8H,5-7H2,1-4H3,(H,14,16)
InChIKeyWXNJTFXWFCDQLI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.22
Rot. Bonds4

About N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide

N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide (PubChem CID 59268968) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide
PubChem CID59268968
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide
SMILESCCCCn1c(C)c(C)cc(NC(C)=O)c1=O
InChIInChI=1S/C13H20N2O2/c1-5-6-7-15-10(3)9(2)8-12(13(15)17)14-11(4)16/h8H,5-7H2,1-4H3,(H,14,16)
InChIKeyWXNJTFXWFCDQLI-UHFFFAOYSA-N
XLogP2.22
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide?
The IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide (CID 59268968) is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide.
What is the SMILES notation for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide?
The canonical SMILES for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide is CCCCn1c(C)c(C)cc(NC(C)=O)c1=O.
What is the InChIKey of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide?
The InChIKey is WXNJTFXWFCDQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-6-7-15-10(3)9(2)8-12(13(15)17)14-11(4)16/h8H,5-7H2,1-4H3,(H,14,16).
What are the key properties of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide?
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide is sourced from PubChem (CID 59268968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).