N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C18H18F3N3O2 — CID 129145041

IUPACN-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@@H]1CNC[C@H](c2ccc(NC(=O)c3ccc(C(F)(F)F)nc3)cc2)O1
InChIInChI=1S/C18H18F3N3O2/c1-11-8-22-10-15(26-11)12-2-5-14(6-3-12)24-17(25)13-4-7-16(23-9-13)18(19,20)21/h2-7,9,11,15,22H,8,10H2,1H3,(H,24,25)/t11-,15-/m1/s1
InChIKeyWSNYSXWCNLZHFR-IAQYHMDHSA-N
MW365.36 g/mol
LogP3.40
Rot. Bonds3

About N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 129145041) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID129145041
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@@H]1CNC[C@H](c2ccc(NC(=O)c3ccc(C(F)(F)F)nc3)cc2)O1
InChIInChI=1S/C18H18F3N3O2/c1-11-8-22-10-15(26-11)12-2-5-14(6-3-12)24-17(25)13-4-7-16(23-9-13)18(19,20)21/h2-7,9,11,15,22H,8,10H2,1H3,(H,24,25)/t11-,15-/m1/s1
InChIKeyWSNYSXWCNLZHFR-IAQYHMDHSA-N
XLogP3.40
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 129145041) is N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is C[C@@H]1CNC[C@H](c2ccc(NC(=O)c3ccc(C(F)(F)F)nc3)cc2)O1.
What is the InChIKey of N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WSNYSXWCNLZHFR-IAQYHMDHSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-11-8-22-10-15(26-11)12-2-5-14(6-3-12)24-17(25)13-4-7-16(23-9-13)18(19,20)21/h2-7,9,11,15,22H,8,10H2,1H3,(H,24,25)/t11-,15-/m1/s1.
What are the key properties of N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6R)-6-methylmorpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 129145041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).