2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide

C17H17F3N4O2 — CID 167951535

IUPAC2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(NC(=O)CCc1cncnc1)(C(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4O2/c1-16(15(21)26,12-3-2-4-13(7-12)17(18,19)20)24-14(25)6-5-11-8-22-10-23-9-11/h2-4,7-10H,5-6H2,1H3,(H2,21,26)(H,24,25)
InChIKeyJEGRJANCYKNXPM-UHFFFAOYSA-N
MW366.34 g/mol
LogP1.94
Rot. Bonds6

About 2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide

2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 167951535) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID167951535
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(NC(=O)CCc1cncnc1)(C(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4O2/c1-16(15(21)26,12-3-2-4-13(7-12)17(18,19)20)24-14(25)6-5-11-8-22-10-23-9-11/h2-4,7-10H,5-6H2,1H3,(H2,21,26)(H,24,25)
InChIKeyJEGRJANCYKNXPM-UHFFFAOYSA-N
XLogP1.94
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide
CID 119338802
2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 119338792
(2S)-2-[(2-methylsulfanylacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 96528918
2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 60796923
N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyridine-2-carboxamide
CID 71977558
2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 71977559
2-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 146090656
4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 120563651
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide
CID 119810304
2-[[2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,4-triazol-1-yl]acetyl]amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 75244167
N-(1-amino-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119524236
4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 105086241

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide (CID 167951535) is 2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide is CC(NC(=O)CCc1cncnc1)(C(N)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is JEGRJANCYKNXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-16(15(21)26,12-3-2-4-13(7-12)17(18,19)20)24-14(25)6-5-11-8-22-10-23-9-11/h2-4,7-10H,5-6H2,1H3,(H2,21,26)(H,24,25).
What are the key properties of 2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide?
2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 366.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 167951535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).