N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide

C16H15F3N4O — CID 71794917

IUPACN-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(N2CCCC2)ncn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)12-5-3-4-11(8-12)15(24)22-13-9-14(21-10-20-13)23-6-1-2-7-23/h3-5,8-10H,1-2,6-7H2,(H,20,21,22,24)
InChIKeyXZSWVFDREBINHF-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.35
Rot. Bonds3

About N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide

N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide (PubChem CID 71794917) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide
PubChem CID71794917
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC NameN-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(N2CCCC2)ncn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)12-5-3-4-11(8-12)15(24)22-13-9-14(21-10-20-13)23-6-1-2-7-23/h3-5,8-10H,1-2,6-7H2,(H,20,21,22,24)
InChIKeyXZSWVFDREBINHF-UHFFFAOYSA-N
XLogP3.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide (CID 71794917) is N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide is O=C(Nc1cc(N2CCCC2)ncn1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is XZSWVFDREBINHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c17-16(18,19)12-5-3-4-11(8-12)15(24)22-13-9-14(21-10-20-13)23-6-1-2-7-23/h3-5,8-10H,1-2,6-7H2,(H,20,21,22,24).
What are the key properties of N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide?
N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 336.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 71794917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).