2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyridine-3-carboxamide

C16H17F3N4O2 — CID 90649552

IUPAC2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C16H17F3N4O2/c1-3-25-15-11(5-4-7-21-15)14(24)20-8-6-13-22-10(2)9-12(23-13)16(17,18)19/h4-5,7,9H,3,6,8H2,1-2H3,(H,20,24)
InChIKeyMEBYTNGLTLYNNO-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.57
Rot. Bonds6

About 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyridine-3-carboxamide

2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyridine-3-carboxamide (PubChem CID 90649552) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyridine-3-carboxamide
PubChem CID90649552
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C16H17F3N4O2/c1-3-25-15-11(5-4-7-21-15)14(24)20-8-6-13-22-10(2)9-12(23-13)16(17,18)19/h4-5,7,9H,3,6,8H2,1-2H3,(H,20,24)
InChIKeyMEBYTNGLTLYNNO-UHFFFAOYSA-N
XLogP2.57
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyridine-3-carboxamide (CID 90649552) is 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)NCCc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is MEBYTNGLTLYNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-3-25-15-11(5-4-7-21-15)14(24)20-8-6-13-22-10(2)9-12(23-13)16(17,18)19/h4-5,7,9H,3,6,8H2,1-2H3,(H,20,24).
What are the key properties of 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyridine-3-carboxamide?
2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 90649552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).