3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide

C17H25N3O3 — CID 111596424

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C17H25N3O3/c1-6-20(10-17(4,5)23)15(21)8-7-13-11(2)14(9-18)16(22)19-12(13)3/h23H,6-8,10H2,1-5H3,(H,19,22)
InChIKeyBPRWNMYMVDVKOG-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.42
Rot. Bonds6

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide (PubChem CID 111596424) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
PubChem CID111596424
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
SMILESCCN(CC(C)(C)O)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C17H25N3O3/c1-6-20(10-17(4,5)23)15(21)8-7-13-11(2)14(9-18)16(22)19-12(13)3/h23H,6-8,10H2,1-5H3,(H,19,22)
InChIKeyBPRWNMYMVDVKOG-UHFFFAOYSA-N
XLogP1.42
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide (CID 111596424) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide is CCN(CC(C)(C)O)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
The InChIKey is BPRWNMYMVDVKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-6-20(10-17(4,5)23)15(21)8-7-13-11(2)14(9-18)16(22)19-12(13)3/h23H,6-8,10H2,1-5H3,(H,19,22).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide has a molecular weight of 319.41 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 111596424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).