N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide

C17H25N3O2 — CID 18164326

IUPACN-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide
SMILESCCCCN(CC)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C17H25N3O2/c1-5-7-10-20(6-2)16(21)9-8-14-12(3)15(11-18)17(22)19-13(14)4/h5-10H2,1-4H3,(H,19,22)
InChIKeyRNHMZMXSGUULNF-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.44
Rot. Bonds7

About N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide

N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide (PubChem CID 18164326) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide.

Molecular Properties

Compound NameN-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide
PubChem CID18164326
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide
SMILESCCCCN(CC)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
InChIInChI=1S/C17H25N3O2/c1-5-7-10-20(6-2)16(21)9-8-14-12(3)15(11-18)17(22)19-13(14)4/h5-10H2,1-4H3,(H,19,22)
InChIKeyRNHMZMXSGUULNF-UHFFFAOYSA-N
XLogP2.44
TPSA76.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide 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 N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide?
The IUPAC name of N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide (CID 18164326) is N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide.
What is the SMILES notation for N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide?
The canonical SMILES for N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide is CCCCN(CC)C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C.
What is the InChIKey of N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide?
The InChIKey is RNHMZMXSGUULNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-5-7-10-20(6-2)16(21)9-8-14-12(3)15(11-18)17(22)19-13(14)4/h5-10H2,1-4H3,(H,19,22).
What are the key properties of N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide?
N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide has a molecular weight of 303.41 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-ethylpropanamide is sourced from PubChem (CID 18164326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).