2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide

C17H17F3N4O3 — CID 139001144

IUPAC2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NC2CCN(c3cccc(OC(F)(F)F)c3)C2)cn1
InChIInChI=1S/C17H17F3N4O3/c1-26-16-21-8-11(9-22-16)15(25)23-12-5-6-24(10-12)13-3-2-4-14(7-13)27-17(18,19)20/h2-4,7-9,12H,5-6,10H2,1H3,(H,23,25)
InChIKeyMAQLUKYFZHHFAN-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.39
Rot. Bonds5

About 2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide

2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 139001144) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is 2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide
PubChem CID139001144
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC Name2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide
SMILESCOc1ncc(C(=O)NC2CCN(c3cccc(OC(F)(F)F)c3)C2)cn1
InChIInChI=1S/C17H17F3N4O3/c1-26-16-21-8-11(9-22-16)15(25)23-12-5-6-24(10-12)13-3-2-4-14(7-13)27-17(18,19)20/h2-4,7-9,12H,5-6,10H2,1H3,(H,23,25)
InChIKeyMAQLUKYFZHHFAN-UHFFFAOYSA-N
XLogP2.39
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 96547281
1-(2-fluoroethyl)-3-[(3S)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]urea
CID 125140707
1-[2-(dimethylamino)-2-oxoethyl]-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]triazole-4-carboxamide
CID 139001146
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]benzamide
CID 71863722
N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]piperidine-3-carboxamide
CID 119886059
3-(2-aminophenyl)-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]propanamide
CID 120613181
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide
CID 136666555
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide
CID 91887797
1-[3-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 58973484
N-(1-cyanopyrrolidin-3-yl)-5-[3-(trifluoromethoxy)phenyl]-1,3-oxazole-2-carboxamide;methoxymethane
CID 156881467
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-(trifluoromethoxy)benzamide
CID 90633900

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide (CID 139001144) is 2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide is COc1ncc(C(=O)NC2CCN(c3cccc(OC(F)(F)F)c3)C2)cn1.
What is the InChIKey of 2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is MAQLUKYFZHHFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c1-26-16-21-8-11(9-22-16)15(25)23-12-5-6-24(10-12)13-3-2-4-14(7-13)27-17(18,19)20/h2-4,7-9,12H,5-6,10H2,1H3,(H,23,25).
What are the key properties of 2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide?
2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 382.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 139001144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).