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

C17H17F3N4O — CID 91967117

IUPACN-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccnc(N2CCCC2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)13-5-3-12(4-6-13)15(25)22-11-14-7-8-21-16(23-14)24-9-1-2-10-24/h3-8H,1-2,9-11H2,(H,22,25)
InChIKeyNIZCPURIIUDWKW-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.03
Rot. Bonds4

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

N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 91967117) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID91967117
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC NameN-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCc1ccnc(N2CCCC2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)13-5-3-12(4-6-13)15(25)22-11-14-7-8-21-16(23-14)24-9-1-2-10-24/h3-8H,1-2,9-11H2,(H,22,25)
InChIKeyNIZCPURIIUDWKW-UHFFFAOYSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122352082
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122351951
3,5-dinitro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352195
4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 122353608
3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353315
2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353165
3-methoxy-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967105
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122353231
2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297598

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide (CID 91967117) is N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide is O=C(NCc1ccnc(N2CCCC2)n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is NIZCPURIIUDWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c18-17(19,20)13-5-3-12(4-6-13)15(25)22-11-14-7-8-21-16(23-14)24-9-1-2-10-24/h3-8H,1-2,9-11H2,(H,22,25).
What are the key properties of N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide?
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 350.34 g/mol, XLogP of 3.03, 4 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]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 91967117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).