N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide

C14H20F3N3O2 — CID 86990553

IUPACN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESCN(CCCNC(=O)CCn1ccccc1=O)CC(F)(F)F
InChIInChI=1S/C14H20F3N3O2/c1-19(11-14(15,16)17)8-4-7-18-12(21)6-10-20-9-3-2-5-13(20)22/h2-3,5,9H,4,6-8,10-11H2,1H3,(H,18,21)
InChIKeyVIZRWDXBBSPONG-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.24
Rot. Bonds8

About N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide

N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 86990553) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID86990553
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC NameN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESCN(CCCNC(=O)CCn1ccccc1=O)CC(F)(F)F
InChIInChI=1S/C14H20F3N3O2/c1-19(11-14(15,16)17)8-4-7-18-12(21)6-10-20-9-3-2-5-13(20)22/h2-3,5,9H,4,6-8,10-11H2,1H3,(H,18,21)
InChIKeyVIZRWDXBBSPONG-UHFFFAOYSA-N
XLogP1.24
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxy-n,n-diethylnicotinamide
CID 59042094
N,N-diethyl-3-(2-oxo-1-pyridinyl)propanamide
CID 45815059
2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide
CID 71971522
1-(3-Aminopropyl)-3-(trifluoromethyl)pyridin-2-one
CID 59225309
[3-(2-Oxo-3-trifluoromethyl-2H-pyridin-1-yl)-propyl]-carbamic acid tert-butyl ester
CID 59225407
6-(Difluoromethyl)-N-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 59828239
3-[2-Oxo-3-(trifluoromethyl)pyridin-1-yl]propylcarbamic acid
CID 68896418
1-(3-Aminopropyl)-5-fluoro-1,2-dihydropyridin-2-one
CID 82146483
1-[3-(Chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one
CID 89092388
(2E)-N-methyl-4-[3-[methyl(2,2,2-trifluoroethyl)amino]propylamino]penta-2,4-dienamide
CID 90245813
1-(3-Amino-propyl)-3-trifluoromethyl-1H-pyridin-2-one. Hydrochloride salt
CID 131739538
(E)-N-(3-amino-2,2-difluoro-3-oxopropyl)-4-(dimethylamino)but-2-enamide
CID 138658289

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide (CID 86990553) is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide is CN(CCCNC(=O)CCn1ccccc1=O)CC(F)(F)F.
What is the InChIKey of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is VIZRWDXBBSPONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-19(11-14(15,16)17)8-4-7-18-12(21)6-10-20-9-3-2-5-13(20)22/h2-3,5,9H,4,6-8,10-11H2,1H3,(H,18,21).
What are the key properties of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide?
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 319.33 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 86990553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).