N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide

C21H19F3N6O — CID 121112867

IUPACN-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H19F3N6O/c22-21(23,24)16-6-4-15(5-7-16)19(31)28-17-13-26-20(27-14-17)30-11-9-29(10-12-30)18-3-1-2-8-25-18/h1-8,13-14H,9-12H2,(H,28,31)
InChIKeyXXJXVJBZFOEIMO-UHFFFAOYSA-N
MW428.42 g/mol
LogP3.47
Rot. Bonds4

About N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide

N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide (PubChem CID 121112867) has the molecular formula C21H19F3N6O and a molecular weight of 428.42 g/mol. Its IUPAC name is N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
PubChem CID121112867
Molecular FormulaC21H19F3N6O
Molecular Weight428.42 g/mol
Exact Mass428.16
IUPAC NameN-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H19F3N6O/c22-21(23,24)16-6-4-15(5-7-16)19(31)28-17-13-26-20(27-14-17)30-11-9-29(10-12-30)18-3-1-2-8-25-18/h1-8,13-14H,9-12H2,(H,28,31)
InChIKeyXXJXVJBZFOEIMO-UHFFFAOYSA-N
XLogP3.47
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112852
N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 53164816
3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide
CID 122300115
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848
3,4,5-trimethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112859
1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 121112892
3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122300042
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
CID 71790052
2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112875
2-(4-formylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109254563
1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
CID 122300047
(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950861

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide (CID 121112867) is N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide is O=C(Nc1cnc(N2CCN(c3ccccn3)CC2)nc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is XXJXVJBZFOEIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O/c22-21(23,24)16-6-4-15(5-7-16)19(31)28-17-13-26-20(27-14-17)30-11-9-29(10-12-30)18-3-1-2-8-25-18/h1-8,13-14H,9-12H2,(H,28,31).
What are the key properties of N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 428.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 121112867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).