2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide

C18H19F3N4O2 — CID 67007292

IUPAC2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)CC1)c1cnc(-c2cccc(O)c2)nc1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)11-25-6-4-14(5-7-25)24-17(27)13-9-22-16(23-10-13)12-2-1-3-15(26)8-12/h1-3,8-10,14,26H,4-7,11H2,(H,24,27)
InChIKeyRIQDRCAXPADOAE-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.61
Rot. Bonds4

About 2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide

2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide (PubChem CID 67007292) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
PubChem CID67007292
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)CC1)c1cnc(-c2cccc(O)c2)nc1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)11-25-6-4-14(5-7-25)24-17(27)13-9-22-16(23-10-13)12-2-1-3-15(26)8-12/h1-3,8-10,14,26H,4-7,11H2,(H,24,27)
InChIKeyRIQDRCAXPADOAE-UHFFFAOYSA-N
XLogP2.61
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide (CID 67007292) is 2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide is O=C(NC1CCN(CC(F)(F)F)CC1)c1cnc(-c2cccc(O)c2)nc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is RIQDRCAXPADOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)11-25-6-4-14(5-7-25)24-17(27)13-9-22-16(23-10-13)12-2-1-3-15(26)8-12/h1-3,8-10,14,26H,4-7,11H2,(H,24,27).
What are the key properties of 2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide?
2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 67007292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).