N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide

C16H19F3N4O2 — CID 50962559

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN1CC(C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)CC1=O
InChIInChI=1S/C16H19F3N4O2/c1-3-6-23-9-11(8-14(23)24)15(25)20-5-4-13-21-10(2)7-12(22-13)16(17,18)19/h3,7,11H,1,4-6,8-9H2,2H3,(H,20,25)
InChIKeyFJNIRUGTFOFODG-UHFFFAOYSA-N
MW356.35 g/mol
LogP1.50
Rot. Bonds6

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide (PubChem CID 50962559) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
PubChem CID50962559
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
SMILESC=CCN1CC(C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)CC1=O
InChIInChI=1S/C16H19F3N4O2/c1-3-6-23-9-11(8-14(23)24)15(25)20-5-4-13-21-10(2)7-12(22-13)16(17,18)19/h3,7,11H,1,4-6,8-9H2,2H3,(H,20,25)
InChIKeyFJNIRUGTFOFODG-UHFFFAOYSA-N
XLogP1.50
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid cyclopentylamide
CID 655094
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (3-methoxy-propyl)-amide
CID 648946
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid propylamide
CID 655911
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid sec-butylamide
CID 645777
4-[(4,6-Dimethyl-2-pyrimidinyl)amino]-1-methyl-2-pyrrolidinone
CID 45182021
N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 56713366
N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 56868588
N-{2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 71797046
1-Tert-butyl-4-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 71982265
N-[2-(4,6-dimethyl-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72850778
N-[2-(4,6-dimethyl-2-pyrimidinyl)ethyl]-2-(1-propyl-4-piperidinyl)acetamide
CID 72872940

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide (CID 50962559) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide is C=CCN1CC(C(=O)NCCc2nc(C)cc(C(F)(F)F)n2)CC1=O.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
The InChIKey is FJNIRUGTFOFODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c1-3-6-23-9-11(8-14(23)24)15(25)20-5-4-13-21-10(2)7-12(22-13)16(17,18)19/h3,7,11H,1,4-6,8-9H2,2H3,(H,20,25).
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide has a molecular weight of 356.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide is sourced from PubChem (CID 50962559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).