N-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C13H15F3N4O4 — CID 2746155

IUPACN-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NC(=O)c1ccc(OCC(F)(F)F)nc1)NN1CCOCC1
InChIInChI=1S/C13H15F3N4O4/c14-13(15,16)8-24-10-2-1-9(7-17-10)11(21)18-12(22)19-20-3-5-23-6-4-20/h1-2,7H,3-6,8H2,(H2,18,19,21,22)
InChIKeyHWQXPEQAJZYRSO-UHFFFAOYSA-N
MW348.28 g/mol
LogP0.71
Rot. Bonds4

About N-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 2746155) has the molecular formula C13H15F3N4O4 and a molecular weight of 348.28 g/mol. Its IUPAC name is N-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID2746155
Molecular FormulaC13H15F3N4O4
Molecular Weight348.28 g/mol
Exact Mass348.10
IUPAC NameN-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NC(=O)c1ccc(OCC(F)(F)F)nc1)NN1CCOCC1
InChIInChI=1S/C13H15F3N4O4/c14-13(15,16)8-24-10-2-1-9(7-17-10)11(21)18-12(22)19-20-3-5-23-6-4-20/h1-2,7H,3-6,8H2,(H2,18,19,21,22)
InChIKeyHWQXPEQAJZYRSO-UHFFFAOYSA-N
XLogP0.71
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 2746155) is N-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NC(=O)c1ccc(OCC(F)(F)F)nc1)NN1CCOCC1.
What is the InChIKey of N-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is HWQXPEQAJZYRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O4/c14-13(15,16)8-24-10-2-1-9(7-17-10)11(21)18-12(22)19-20-3-5-23-6-4-20/h1-2,7H,3-6,8H2,(H2,18,19,21,22).
What are the key properties of N-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 348.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-4-ylcarbamoyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 2746155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).