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

C14H19F3N4O — CID 70672879

IUPAC2-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NC2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C14H19F3N4O/c1-2-12-18-7-10(8-19-12)13(22)20-11-3-5-21(6-4-11)9-14(15,16)17/h7-8,11H,2-6,9H2,1H3,(H,20,22)
InChIKeyMVGPDXYXFOGVRI-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.80
Rot. Bonds4

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

2-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide (PubChem CID 70672879) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
PubChem CID70672879
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name2-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)NC2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C14H19F3N4O/c1-2-12-18-7-10(8-19-12)13(22)20-11-3-5-21(6-4-11)9-14(15,16)17/h7-8,11H,2-6,9H2,1H3,(H,20,22)
InChIKeyMVGPDXYXFOGVRI-UHFFFAOYSA-N
XLogP1.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide (CID 70672879) is 2-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide is CCc1ncc(C(=O)NC2CCN(CC(F)(F)F)CC2)cn1.
What is the InChIKey of 2-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is MVGPDXYXFOGVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c1-2-12-18-7-10(8-19-12)13(22)20-11-3-5-21(6-4-11)9-14(15,16)17/h7-8,11H,2-6,9H2,1H3,(H,20,22).
What are the key properties of 2-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide?
2-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 70672879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).