2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide

C20H17F3N4O2 — CID 133348025

IUPAC2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(Oc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/C20H17F3N4O2/c1-12(2)19(28)25-14-3-5-15(6-4-14)29-17-11-16(20(21,22)23)26-18(27-17)13-7-9-24-10-8-13/h3-12H,1-2H3,(H,25,28)
InChIKeyWBXYKEAMSQFXAX-UHFFFAOYSA-N
MW402.38 g/mol
LogP4.94
Rot. Bonds5

About 2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide

2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide (PubChem CID 133348025) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide
PubChem CID133348025
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Name2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(Oc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc1
InChIInChI=1S/C20H17F3N4O2/c1-12(2)19(28)25-14-3-5-15(6-4-14)29-17-11-16(20(21,22)23)26-18(27-17)13-7-9-24-10-8-13/h3-12H,1-2H3,(H,25,28)
InChIKeyWBXYKEAMSQFXAX-UHFFFAOYSA-N
XLogP4.94
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-[6-(trifluoromethyl)pyridazin-3-yl]oxyphenyl]propanamide
CID 133419312
1-[2-fluoro-4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]ethanone
CID 133319885
2-methyl-N-[4-[5-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
CID 170943037
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 15070166
N-[4-[2-(methoxymethyl)-6-methylpyrimidin-4-yl]oxyphenyl]-2-methylpropanamide
CID 133348014
2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 134367043
methyl 4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzoate
CID 165391069
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
2-chloro-2-fluoro-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 166427655
N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-2-methylpropanamide
CID 86996582
N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55606042
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide (CID 133348025) is 2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide is CC(C)C(=O)Nc1ccc(Oc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc1.
What is the InChIKey of 2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide?
The InChIKey is WBXYKEAMSQFXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c1-12(2)19(28)25-14-3-5-15(6-4-14)29-17-11-16(20(21,22)23)26-18(27-17)13-7-9-24-10-8-13/h3-12H,1-2H3,(H,25,28).
What are the key properties of 2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide?
2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide has a molecular weight of 402.38 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]propanamide is sourced from PubChem (CID 133348025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).