N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C17H16F3N3O2 — CID 53251568

IUPACN-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)12-3-6-14(22-9-12)16(24)23-13-4-1-11(2-5-13)15-10-21-7-8-25-15/h1-6,9,15,21H,7-8,10H2,(H,23,24)
InChIKeyQJIVFLXPWICPCM-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.01
Rot. Bonds3

About N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 53251568) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID53251568
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)12-3-6-14(22-9-12)16(24)23-13-4-1-11(2-5-13)15-10-21-7-8-25-15/h1-6,9,15,21H,7-8,10H2,(H,23,24)
InChIKeyQJIVFLXPWICPCM-UHFFFAOYSA-N
XLogP3.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 53251568) is N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is QJIVFLXPWICPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)12-3-6-14(22-9-12)16(24)23-13-4-1-11(2-5-13)15-10-21-7-8-25-15/h1-6,9,15,21H,7-8,10H2,(H,23,24).
What are the key properties of N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 53251568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).