3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide

C19H19F3N4O2 — CID 47829818

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1NCC(F)(F)F
InChIInChI=1S/C19H19F3N4O2/c1-11-13(12(2)25-18(28)14(11)9-23)7-8-17(27)26-16-6-4-3-5-15(16)24-10-19(20,21)22/h3-6,24H,7-8,10H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyRENFEGFOAVPAIO-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.41
Rot. Bonds6

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide (PubChem CID 47829818) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
PubChem CID47829818
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1NCC(F)(F)F
InChIInChI=1S/C19H19F3N4O2/c1-11-13(12(2)25-18(28)14(11)9-23)7-8-17(27)26-16-6-4-3-5-15(16)24-10-19(20,21)22/h3-6,24H,7-8,10H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyRENFEGFOAVPAIO-UHFFFAOYSA-N
XLogP3.41
TPSA97.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 18273873
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoate
CID 8784099
2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 55466374
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 55382076
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 55483862
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-iodophenyl)propanamide
CID 46520113
N-(2-chloro-4-methoxyphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 86857878
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003492
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 120604801
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 119261032
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 7598664
5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 46664173

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide (CID 47829818) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1NCC(F)(F)F.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide?
The InChIKey is RENFEGFOAVPAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-11-13(12(2)25-18(28)14(11)9-23)7-8-17(27)26-16-6-4-3-5-15(16)24-10-19(20,21)22/h3-6,24H,7-8,10H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide has a molecular weight of 392.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 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-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide is sourced from PubChem (CID 47829818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).