N-(5-hydroxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C16H16F3N5O2 — CID 142622757

IUPACN-(5-hydroxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(O)cn1)N1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)12-2-1-3-14(21-12)23-6-8-24(9-7-23)15(26)22-13-5-4-11(25)10-20-13/h1-5,10,25H,6-9H2,(H,20,22,26)
InChIKeyMXDCXNMRQWYJED-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.56
Rot. Bonds2

About N-(5-hydroxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

N-(5-hydroxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 142622757) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is N-(5-hydroxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID142622757
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC NameN-(5-hydroxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(O)cn1)N1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H16F3N5O2/c17-16(18,19)12-2-1-3-14(21-12)23-6-8-24(9-7-23)15(26)22-13-5-4-11(25)10-20-13/h1-5,10,25H,6-9H2,(H,20,22,26)
InChIKeyMXDCXNMRQWYJED-UHFFFAOYSA-N
XLogP2.56
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-(5-hydroxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 142622757) is N-(5-hydroxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(5-hydroxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-(5-hydroxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is O=C(Nc1ccc(O)cn1)N1CCN(c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-(5-hydroxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is MXDCXNMRQWYJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c17-16(18,19)12-2-1-3-14(21-12)23-6-8-24(9-7-23)15(26)22-13-5-4-11(25)10-20-13/h1-5,10,25H,6-9H2,(H,20,22,26).
What are the key properties of N-(5-hydroxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
N-(5-hydroxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 142622757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).