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

C13H14F3N3O2 — CID 18105640

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H14F3N3O2/c1-7-9(8(2)19-12(21)10(7)5-17)3-4-11(20)18-6-13(14,15)16/h3-4,6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUKBARLAPEPXSDB-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.47
Rot. Bonds4

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

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 18105640) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID18105640
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC(F)(F)F
InChIInChI=1S/C13H14F3N3O2/c1-7-9(8(2)19-12(21)10(7)5-17)3-4-11(20)18-6-13(14,15)16/h3-4,6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUKBARLAPEPXSDB-UHFFFAOYSA-N
XLogP1.47
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-trifluoroethyl)propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 18105640) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC(F)(F)F.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is UKBARLAPEPXSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-7-9(8(2)19-12(21)10(7)5-17)3-4-11(20)18-6-13(14,15)16/h3-4,6H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 301.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 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-trifluoroethyl)propanamide is sourced from PubChem (CID 18105640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).