3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide

C16H17F3N6O — CID 122300115

IUPAC3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide
SMILESO=C(CC(F)(F)F)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C16H17F3N6O/c17-16(18,19)9-14(26)23-12-10-21-15(22-11-12)25-7-5-24(6-8-25)13-3-1-2-4-20-13/h1-4,10-11H,5-9H2,(H,23,26)
InChIKeyZEWCJRSNZASJRM-UHFFFAOYSA-N
MW366.35 g/mol
LogP2.09
Rot. Bonds4

About 3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide

3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide (PubChem CID 122300115) has the molecular formula C16H17F3N6O and a molecular weight of 366.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide
PubChem CID122300115
Molecular FormulaC16H17F3N6O
Molecular Weight366.35 g/mol
Exact Mass366.14
IUPAC Name3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide
SMILESO=C(CC(F)(F)F)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C16H17F3N6O/c17-16(18,19)9-14(26)23-12-10-21-15(22-11-12)25-7-5-24(6-8-25)13-3-1-2-4-20-13/h1-4,10-11H,5-9H2,(H,23,26)
InChIKeyZEWCJRSNZASJRM-UHFFFAOYSA-N
XLogP2.09
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122300013
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 121112867
1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 121112892
1-(4-fluorophenyl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]cyclopropane-1-carboxamide
CID 122300084
4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112852
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
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848
1-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
CID 122300047
3,4,5-trimethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112859
1-(1,3-benzodioxol-5-yl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 121112894
2-(4-fluorophenyl)-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 113014545

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide (CID 122300115) is 3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide is O=C(CC(F)(F)F)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1.
What is the InChIKey of 3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide?
The InChIKey is ZEWCJRSNZASJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6O/c17-16(18,19)9-14(26)23-12-10-21-15(22-11-12)25-7-5-24(6-8-25)13-3-1-2-4-20-13/h1-4,10-11H,5-9H2,(H,23,26).
What are the key properties of 3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide?
3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide has a molecular weight of 366.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 122300115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).