N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C17H15F4N3O2 — CID 71086974

IUPACN-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CNCCO2)c(F)c1)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C17H15F4N3O2/c18-13-8-11(1-2-12(13)14-9-22-5-6-26-14)24-16(25)10-3-4-23-15(7-10)17(19,20)21/h1-4,7-8,14,22H,5-6,9H2,(H,24,25)/t14-/m0/s1
InChIKeyIZKSXRNODXVURY-AWEZNQCLSA-N
MW369.32 g/mol
LogP3.15
Rot. Bonds3

About N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 71086974) has the molecular formula C17H15F4N3O2 and a molecular weight of 369.32 g/mol. Its IUPAC name is N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID71086974
Molecular FormulaC17H15F4N3O2
Molecular Weight369.32 g/mol
Exact Mass369.11
IUPAC NameN-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CNCCO2)c(F)c1)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C17H15F4N3O2/c18-13-8-11(1-2-12(13)14-9-22-5-6-26-14)24-16(25)10-3-4-23-15(7-10)17(19,20)21/h1-4,7-8,14,22H,5-6,9H2,(H,24,25)/t14-/m0/s1
InChIKeyIZKSXRNODXVURY-AWEZNQCLSA-N
XLogP3.15
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 71086974) is N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is O=C(Nc1ccc([C@@H]2CNCCO2)c(F)c1)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is IZKSXRNODXVURY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15F4N3O2/c18-13-8-11(1-2-12(13)14-9-22-5-6-26-14)24-16(25)10-3-4-23-15(7-10)17(19,20)21/h1-4,7-8,14,22H,5-6,9H2,(H,24,25)/t14-/m0/s1.
What are the key properties of N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 369.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 71086974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).