N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide

C16H15F3N4O2 — CID 122298256

IUPACN-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)25-13-5-3-4-11(8-13)14(24)22-12-9-20-15(21-10-12)23-6-1-2-7-23/h3-5,8-10H,1-2,6-7H2,(H,22,24)
InChIKeyVZQCHAWJWSVKCN-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.23
Rot. Bonds4

About N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide

N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide (PubChem CID 122298256) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
PubChem CID122298256
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC NameN-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
SMILESO=C(Nc1cnc(N2CCCC2)nc1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)25-13-5-3-4-11(8-13)14(24)22-12-9-20-15(21-10-12)23-6-1-2-7-23/h3-5,8-10H,1-2,6-7H2,(H,22,24)
InChIKeyVZQCHAWJWSVKCN-UHFFFAOYSA-N
XLogP3.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide (CID 122298256) is N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide is O=C(Nc1cnc(N2CCCC2)nc1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide?
The InChIKey is VZQCHAWJWSVKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c17-16(18,19)25-13-5-3-4-11(8-13)14(24)22-12-9-20-15(21-10-12)23-6-1-2-7-23/h3-5,8-10H,1-2,6-7H2,(H,22,24).
What are the key properties of N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide?
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide has a molecular weight of 352.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide is sourced from PubChem (CID 122298256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).