5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C18H18F3N3O2 — CID 118714430

IUPAC5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)14-2-4-15(5-3-14)23-17(25)16-6-1-13(11-22-16)12-24-7-9-26-10-8-24/h1-6,11H,7-10,12H2,(H,23,25)
InChIKeyBWSPDQARNUPHFS-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.18
Rot. Bonds4

About 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 118714430) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID118714430
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCOCC2)cn1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)14-2-4-15(5-3-14)23-17(25)16-6-1-13(11-22-16)12-24-7-9-26-10-8-24/h1-6,11H,7-10,12H2,(H,23,25)
InChIKeyBWSPDQARNUPHFS-UHFFFAOYSA-N
XLogP3.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 118714430) is 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCOCC2)cn1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is BWSPDQARNUPHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)14-2-4-15(5-3-14)23-17(25)16-6-1-13(11-22-16)12-24-7-9-26-10-8-24/h1-6,11H,7-10,12H2,(H,23,25).
What are the key properties of 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 118714430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).