N-(3-ethyl-6-methyl-2-oxo-1H-pyridin-4-yl)butanamide

C12H18N2O2 — CID 13146820

IUPACN-(3-ethyl-6-methyl-2-oxo-1H-pyridin-4-yl)butanamide
SMILESCCCC(=O)Nc1cc(C)[nH]c(=O)c1CC
InChIInChI=1S/C12H18N2O2/c1-4-6-11(15)14-10-7-8(3)13-12(16)9(10)5-2/h7H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyDVIGRFMZKMSUKV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.98
Rot. Bonds4

About N-(3-ethyl-6-methyl-2-oxo-1H-pyridin-4-yl)butanamide

N-(3-ethyl-6-methyl-2-oxo-1H-pyridin-4-yl)butanamide (PubChem CID 13146820) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(3-ethyl-6-methyl-2-oxo-1H-pyridin-4-yl)butanamide.

Molecular Properties

Compound NameN-(3-ethyl-6-methyl-2-oxo-1H-pyridin-4-yl)butanamide
PubChem CID13146820
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(3-ethyl-6-methyl-2-oxo-1H-pyridin-4-yl)butanamide
SMILESCCCC(=O)Nc1cc(C)[nH]c(=O)c1CC
InChIInChI=1S/C12H18N2O2/c1-4-6-11(15)14-10-7-8(3)13-12(16)9(10)5-2/h7H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyDVIGRFMZKMSUKV-UHFFFAOYSA-N
XLogP1.98
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-6-methyl-2-oxo-1H-pyridin-4-yl)butanamide?
The IUPAC name of N-(3-ethyl-6-methyl-2-oxo-1H-pyridin-4-yl)butanamide (CID 13146820) is N-(3-ethyl-6-methyl-2-oxo-1H-pyridin-4-yl)butanamide.
What is the SMILES notation for N-(3-ethyl-6-methyl-2-oxo-1H-pyridin-4-yl)butanamide?
The canonical SMILES for N-(3-ethyl-6-methyl-2-oxo-1H-pyridin-4-yl)butanamide is CCCC(=O)Nc1cc(C)[nH]c(=O)c1CC.
What is the InChIKey of N-(3-ethyl-6-methyl-2-oxo-1H-pyridin-4-yl)butanamide?
The InChIKey is DVIGRFMZKMSUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-6-11(15)14-10-7-8(3)13-12(16)9(10)5-2/h7H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of N-(3-ethyl-6-methyl-2-oxo-1H-pyridin-4-yl)butanamide?
N-(3-ethyl-6-methyl-2-oxo-1H-pyridin-4-yl)butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-6-methyl-2-oxo-1H-pyridin-4-yl)butanamide is sourced from PubChem (CID 13146820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).