N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C17H17F3N4O3 — CID 118484404

IUPACN-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CNCCO2)nc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C17H17F3N4O3/c18-17(19,20)10-27-15-4-1-11(7-23-15)16(25)24-12-2-3-13(22-8-12)14-9-21-5-6-26-14/h1-4,7-8,14,21H,5-6,9-10H2,(H,24,25)/t14-/m0/s1
InChIKeyVBWVKAUBWJFBEA-AWEZNQCLSA-N
MW382.34 g/mol
LogP2.33
Rot. Bonds5

About N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 118484404) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID118484404
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC NameN-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CNCCO2)nc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C17H17F3N4O3/c18-17(19,20)10-27-15-4-1-11(7-23-15)16(25)24-12-2-3-13(22-8-12)14-9-21-5-6-26-14/h1-4,7-8,14,21H,5-6,9-10H2,(H,24,25)/t14-/m0/s1
InChIKeyVBWVKAUBWJFBEA-AWEZNQCLSA-N
XLogP2.33
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 118484404) is N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(Nc1ccc([C@@H]2CNCCO2)nc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is VBWVKAUBWJFBEA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c18-17(19,20)10-27-15-4-1-11(7-23-15)16(25)24-12-2-3-13(22-8-12)14-9-21-5-6-26-14/h1-4,7-8,14,21H,5-6,9-10H2,(H,24,25)/t14-/m0/s1.
What are the key properties of N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 382.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 118484404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).