N,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide

C19H21F3N4O2 — CID 162651544

IUPACN,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C19H21F3N4O2/c1-12-9-15(17(27)23-2)25-18(24-12)26-8-7-13(10-26)11-28-16-6-4-3-5-14(16)19(20,21)22/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,23,27)
InChIKeyBQTYBMLMAQVNLI-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.07
Rot. Bonds5

About N,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide

N,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 162651544) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is N,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide
PubChem CID162651544
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC NameN,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C)nc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C19H21F3N4O2/c1-12-9-15(17(27)23-2)25-18(24-12)26-8-7-13(10-26)11-28-16-6-4-3-5-14(16)19(20,21)22/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,23,27)
InChIKeyBQTYBMLMAQVNLI-UHFFFAOYSA-N
XLogP3.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide (CID 162651544) is N,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide is CNC(=O)c1cc(C)nc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1.
What is the InChIKey of N,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is BQTYBMLMAQVNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-12-9-15(17(27)23-2)25-18(24-12)26-8-7-13(10-26)11-28-16-6-4-3-5-14(16)19(20,21)22/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,23,27).
What are the key properties of N,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide?
N,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162651544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).