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

C17H16F3N3O2 — CID 162620968

IUPACN-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1N1CCOCC1)c1ccccn1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)12-4-5-13(15(11-12)23-7-9-25-10-8-23)22-16(24)14-3-1-2-6-21-14/h1-6,11H,7-10H2,(H,22,24)
InChIKeyXWEFALFIXIORIU-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.19
Rot. Bonds3

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

N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 162620968) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID162620968
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1N1CCOCC1)c1ccccn1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)12-4-5-13(15(11-12)23-7-9-25-10-8-23)22-16(24)14-3-1-2-6-21-14/h1-6,11H,7-10H2,(H,22,24)
InChIKeyXWEFALFIXIORIU-UHFFFAOYSA-N
XLogP3.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethynyl-2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 164678994
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
N-[2-(4-hydroxyazepan-1-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 151283957
N-(5-fluoro-2-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
CID 164677875
N-[2-hydroxy-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 162536125
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 1081261
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300470
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 30886930
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184877
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 5134283

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 162620968) is N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1N1CCOCC1)c1ccccn1.
What is the InChIKey of N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is XWEFALFIXIORIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)12-4-5-13(15(11-12)23-7-9-25-10-8-23)22-16(24)14-3-1-2-6-21-14/h1-6,11H,7-10H2,(H,22,24).
What are the key properties of N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 162620968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).