6-ethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide

C18H20F3N5O2 — CID 91631393

IUPAC6-ethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cn1
InChIInChI=1S/C18H20F3N5O2/c1-2-28-16-4-3-12(10-22-16)17(27)25-13-5-7-26(8-6-13)15-9-14(18(19,20)21)23-11-24-15/h3-4,9-11,13H,2,5-8H2,1H3,(H,25,27)
InChIKeyGHOPLBSBWOJEAQ-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.69
Rot. Bonds5

About 6-ethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide

6-ethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 91631393) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 6-ethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID91631393
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name6-ethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cn1
InChIInChI=1S/C18H20F3N5O2/c1-2-28-16-4-3-12(10-22-16)17(27)25-13-5-7-26(8-6-13)15-9-14(18(19,20)21)23-11-24-15/h3-4,9-11,13H,2,5-8H2,1H3,(H,25,27)
InChIKeyGHOPLBSBWOJEAQ-UHFFFAOYSA-N
XLogP2.69
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide (CID 91631393) is 6-ethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide is CCOc1ccc(C(=O)NC2CCN(c3cc(C(F)(F)F)ncn3)CC2)cn1.
What is the InChIKey of 6-ethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is GHOPLBSBWOJEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-2-28-16-4-3-12(10-22-16)17(27)25-13-5-7-26(8-6-13)15-9-14(18(19,20)21)23-11-24-15/h3-4,9-11,13H,2,5-8H2,1H3,(H,25,27).
What are the key properties of 6-ethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide?
6-ethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 91631393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).