3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide

C17H23F3N4O2 — CID 55720708

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCN(C)CC(F)(F)F
InChIInChI=1S/C17H23F3N4O2/c1-11-13(12(2)23-16(26)14(11)9-21)5-6-15(25)22-7-4-8-24(3)10-17(18,19)20/h4-8,10H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyMSVOGMAPXKTKAN-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.80
Rot. Bonds8

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

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide (PubChem CID 55720708) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide
PubChem CID55720708
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCN(C)CC(F)(F)F
InChIInChI=1S/C17H23F3N4O2/c1-11-13(12(2)23-16(26)14(11)9-21)5-6-15(25)22-7-4-8-24(3)10-17(18,19)20/h4-8,10H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyMSVOGMAPXKTKAN-UHFFFAOYSA-N
XLogP1.80
TPSA88.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide (CID 55720708) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCN(C)CC(F)(F)F.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide?
The InChIKey is MSVOGMAPXKTKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c1-11-13(12(2)23-16(26)14(11)9-21)5-6-15(25)22-7-4-8-24(3)10-17(18,19)20/h4-8,10H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide has a molecular weight of 372.39 g/mol, XLogP of 1.80, 8 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-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide is sourced from PubChem (CID 55720708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).