N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide

C11H13F3N4O — CID 171704924

IUPACN-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C11H13F3N4O/c1-15-10(19)7-2-3-18(5-7)9-4-8(11(12,13)14)16-6-17-9/h4,6-7H,2-3,5H2,1H3,(H,15,19)
InChIKeyQRFSGZLGIJZRIA-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.07
Rot. Bonds2

About N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide

N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 171704924) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID171704924
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC NameN-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C11H13F3N4O/c1-15-10(19)7-2-3-18(5-7)9-4-8(11(12,13)14)16-6-17-9/h4,6-7H,2-3,5H2,1H3,(H,15,19)
InChIKeyQRFSGZLGIJZRIA-UHFFFAOYSA-N
XLogP1.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxypyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 126855030
N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892456
N-[(3,5-difluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892463
N-(3-chloro-4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892451
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
N-[(4-chlorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892464
4-[3-(difluoromethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 166602956
N-(oxolan-2-ylmethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892475
1-[6-(ethylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80799616
(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 175648415
N-(2-thiophen-2-ylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892471

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide (CID 171704924) is N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide is CNC(=O)C1CCN(c2cc(C(F)(F)F)ncn2)C1.
What is the InChIKey of N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is QRFSGZLGIJZRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-15-10(19)7-2-3-18(5-7)9-4-8(11(12,13)14)16-6-17-9/h4,6-7H,2-3,5H2,1H3,(H,15,19).
What are the key properties of N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide?
N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 274.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 171704924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).