N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C18H18F3N3O2 — CID 58315627

IUPACN-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)16-6-5-14(10-23-16)17(25)24-9-12-1-3-13(4-2-12)15-11-22-7-8-26-15/h1-6,10,15,22H,7-9,11H2,(H,24,25)/t15-/m0/s1
InChIKeyIAKWVQYWHFPJTJ-HNNXBMFYSA-N
MW365.36 g/mol
LogP2.69
Rot. Bonds4

About N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 58315627) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID58315627
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)16-6-5-14(10-23-16)17(25)24-9-12-1-3-13(4-2-12)15-11-22-7-8-26-15/h1-6,10,15,22H,7-9,11H2,(H,24,25)/t15-/m0/s1
InChIKeyIAKWVQYWHFPJTJ-HNNXBMFYSA-N
XLogP2.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 59743926
6-[(benzyloxy)methyl]-2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190886
N-(2-hydroxy-2-phenylethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 2812767
(6R)-6-(phenylmethoxymethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 16202187
N-[2,2-difluoro-2-[2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
CID 66551245
2-[(3-Pyridinylcarbonyl)amino]ethyl 2,4,5-trimethylbenzoate
CID 2135046
N-(2-{3-[Bis-(4-fluoro-phenyl)-methoxy]-8-aza-bicyclo[3.2.1]oct-8-yl}-ethyl)-nicotinamide
CID 44341929
N-[2-[3,6-difluoro-2-(5-methylpyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
CID 71451085
N-[2-[6-fluoro-2-(5-methoxypyrazin-2-yl)-3-methylphenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
CID 71454678
N-[2-[3,6-difluoro-2-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
CID 71460108
N-[2,2-difluoro-2-[2-fluoro-6-(5-methoxypyrazin-2-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
CID 71461830
{2-[3-(3-Methyl-butylcarbamoyl)-pyridin-2-yl]-benzyl}-carbamic acid benzyl ester
CID 11059094

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 58315627) is N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IAKWVQYWHFPJTJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)16-6-5-14(10-23-16)17(25)24-9-12-1-3-13(4-2-12)15-11-22-7-8-26-15/h1-6,10,15,22H,7-9,11H2,(H,24,25)/t15-/m0/s1.
What are the key properties of N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58315627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).