2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide

C17H17F3N4O2 — CID 67508804

IUPAC2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide
SMILESCCC(=O)Nc1nccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H17F3N4O2/c1-3-14(25)24-16-21-8-7-13(23-16)15(26)22-10(2)11-5-4-6-12(9-11)17(18,19)20/h4-10H,3H2,1-2H3,(H,22,26)(H,21,23,24,25)/t10-/m1/s1
InChIKeyNHIHDWMEJXQLDG-SNVBAGLBSA-N
MW366.34 g/mol
LogP3.33
Rot. Bonds5

About 2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide

2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide (PubChem CID 67508804) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide
PubChem CID67508804
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide
SMILESCCC(=O)Nc1nccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H17F3N4O2/c1-3-14(25)24-16-21-8-7-13(23-16)15(26)22-10(2)11-5-4-6-12(9-11)17(18,19)20/h4-10H,3H2,1-2H3,(H,22,26)(H,21,23,24,25)/t10-/m1/s1
InChIKeyNHIHDWMEJXQLDG-SNVBAGLBSA-N
XLogP3.33
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 151094917
2-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62788576
2-(butan-2-ylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297217
3-(pyrimidin-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42948719
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 78778446
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109297024
7-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18084276
2-N-[3,5-bis(trifluoromethyl)phenyl]-6-N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyridine-2,6-dicarboxamide
CID 122364413
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
5-thiophen-2-yl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-3-carboxamide
CID 95871145

Frequently Asked Questions

What is the IUPAC name of 2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide (CID 67508804) is 2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide is CCC(=O)Nc1nccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide?
The InChIKey is NHIHDWMEJXQLDG-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-3-14(25)24-16-21-8-7-13(23-16)15(26)22-10(2)11-5-4-6-12(9-11)17(18,19)20/h4-10H,3H2,1-2H3,(H,22,26)(H,21,23,24,25)/t10-/m1/s1.
What are the key properties of 2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide?
2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 67508804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).