N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C18H19F3N4O — CID 122352082

IUPACN-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccnc(N2CCCC2)n1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)14-5-3-13(4-6-14)11-16(26)23-12-15-7-8-22-17(24-15)25-9-1-2-10-25/h3-8H,1-2,9-12H2,(H,23,26)
InChIKeyFHGIOBNKBOYXKH-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.95
Rot. Bonds5

About N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 122352082) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID122352082
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC NameN-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccnc(N2CCCC2)n1
InChIInChI=1S/C18H19F3N4O/c19-18(20,21)14-5-3-13(4-6-14)11-16(26)23-12-15-7-8-22-17(24-15)25-9-1-2-10-25/h3-8H,1-2,9-12H2,(H,23,26)
InChIKeyFHGIOBNKBOYXKH-UHFFFAOYSA-N
XLogP2.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 91967117
2-naphthalen-1-yl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353105
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122351951
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352101
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297598
2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
2-(1-adamantyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353151
2-(4-methoxyphenoxy)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353098
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353165
1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122353062

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 122352082) is N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccc(C(F)(F)F)cc1)NCc1ccnc(N2CCCC2)n1.
What is the InChIKey of N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FHGIOBNKBOYXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c19-18(20,21)14-5-3-13(4-6-14)11-16(26)23-12-15-7-8-22-17(24-15)25-9-1-2-10-25/h3-8H,1-2,9-12H2,(H,23,26).
What are the key properties of N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 364.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 122352082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).