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

C17H16F3N3O2 — CID 56836053

IUPACN-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)15-9-12(5-6-22-15)16(24)23-13-3-1-11(2-4-13)14-10-21-7-8-25-14/h1-6,9,14,21H,7-8,10H2,(H,23,24)/t14-/m1/s1
InChIKeyIBNOLJAQNSYNJJ-CQSZACIVSA-N
MW351.33 g/mol
LogP3.01
Rot. Bonds3

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

N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 56836053) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID56836053
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)15-9-12(5-6-22-15)16(24)23-13-3-1-11(2-4-13)14-10-21-7-8-25-14/h1-6,9,14,21H,7-8,10H2,(H,23,24)/t14-/m1/s1
InChIKeyIBNOLJAQNSYNJJ-CQSZACIVSA-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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Related Compounds

N-(5-fluoro-6-morpholin-2-yl-3-pyridinyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 118484974
N-(4-morpholin-2-ylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 90047385
N-(4-morpholin-2-ylphenyl)-1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazole-4-carboxamide
CID 90047286
N-(4-morpholin-2-ylphenyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide;hydrochloride
CID 90047467
4-formyl-N-(4-morpholin-2-ylphenyl)benzamide
CID 86673956
4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 164898260
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315627
N-[(4-morpholin-2-ylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67240344
4-chloro-2-fluoro-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide;4-chloro-2-fluoro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 159688298
N-(4-morpholin-2-ylphenyl)-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide;hydrochloride
CID 71087819

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 56836053) is N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is IBNOLJAQNSYNJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)15-9-12(5-6-22-15)16(24)23-13-3-1-11(2-4-13)14-10-21-7-8-25-14/h1-6,9,14,21H,7-8,10H2,(H,23,24)/t14-/m1/s1.
What are the key properties of N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-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-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 56836053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).