N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide

C17H15ClF3N3O2 — CID 109228686

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C17H15ClF3N3O2/c18-14-2-1-12(17(19,20)21)8-15(14)23-16(25)11-7-13(10-22-9-11)24-3-5-26-6-4-24/h1-2,7-10H,3-6H2,(H,23,25)
InChIKeyRFIXSSIBZOBGBG-UHFFFAOYSA-N
MW385.77 g/mol
LogP3.84
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 109228686) has the molecular formula C17H15ClF3N3O2 and a molecular weight of 385.77 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide
PubChem CID109228686
Molecular FormulaC17H15ClF3N3O2
Molecular Weight385.77 g/mol
Exact Mass385.08
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cncc(N2CCOCC2)c1
InChIInChI=1S/C17H15ClF3N3O2/c18-14-2-1-12(17(19,20)21)8-15(14)23-16(25)11-7-13(10-22-9-11)24-3-5-26-6-4-24/h1-2,7-10H,3-6H2,(H,23,25)
InChIKeyRFIXSSIBZOBGBG-UHFFFAOYSA-N
XLogP3.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.77
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184877
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-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide
CID 167880419
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300470
N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225862
N-(2-methylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228626
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-3-carboxamide
CID 109238959
2-chloro-4-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26880886
5-(3,4-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 17117719
N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228634
N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230953

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide (CID 109228686) is N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cncc(N2CCOCC2)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is RFIXSSIBZOBGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O2/c18-14-2-1-12(17(19,20)21)8-15(14)23-16(25)11-7-13(10-22-9-11)24-3-5-26-6-4-24/h1-2,7-10H,3-6H2,(H,23,25).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 385.77 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 109228686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).