4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide

C17H17F3N4O3 — CID 138043224

IUPAC4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccnc(OCC(F)(F)F)c1)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C17H17F3N4O3/c18-17(19,20)11-27-15-9-12(1-3-22-15)23-16(25)14-10-13(2-4-21-14)24-5-7-26-8-6-24/h1-4,9-10H,5-8,11H2,(H,22,23,25)
InChIKeyJHDWVVQZHKAXNG-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.51
Rot. Bonds5

About 4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide

4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide (PubChem CID 138043224) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide
PubChem CID138043224
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC Name4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccnc(OCC(F)(F)F)c1)c1cc(N2CCOCC2)ccn1
InChIInChI=1S/C17H17F3N4O3/c18-17(19,20)11-27-15-9-12(1-3-22-15)23-16(25)14-10-13(2-4-21-14)24-5-7-26-8-6-24/h1-4,9-10H,5-8,11H2,(H,22,23,25)
InChIKeyJHDWVVQZHKAXNG-UHFFFAOYSA-N
XLogP2.51
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide (CID 138043224) is 4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide is O=C(Nc1ccnc(OCC(F)(F)F)c1)c1cc(N2CCOCC2)ccn1.
What is the InChIKey of 4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide?
The InChIKey is JHDWVVQZHKAXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c18-17(19,20)11-27-15-9-12(1-3-22-15)23-16(25)14-10-13(2-4-21-14)24-5-7-26-8-6-24/h1-4,9-10H,5-8,11H2,(H,22,23,25).
What are the key properties of 4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide?
4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide has a molecular weight of 382.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 138043224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).