N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C17H16F3N3O2 — CID 1081261

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccnc1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)13-3-4-15(23-6-8-25-9-7-23)14(10-13)22-16(24)12-2-1-5-21-11-12/h1-5,10-11H,6-9H2,(H,22,24)
InChIKeyUMNCZEFAKQXEOI-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.19
Rot. Bonds3

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 1081261) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID1081261
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccnc1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)13-3-4-15(23-6-8-25-9-7-23)14(10-13)22-16(24)12-2-1-5-21-11-12/h1-5,10-11H,6-9H2,(H,22,24)
InChIKeyUMNCZEFAKQXEOI-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

4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
N-(5-methoxy-2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 6473397
3-(dimethylamino)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2326651
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
N-(5-fluoro-2-morpholin-4-ylphenyl)-4-(trifluoromethyl)benzamide
CID 113092724
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 2433948
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228686
N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)pyridine-3-carboxamide
CID 17173598
3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-4-(tetrazol-1-yl)benzamide
CID 55616983
4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2093034
4-morpholin-4-yl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 2994111
N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 3042222

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 1081261) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccnc1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is UMNCZEFAKQXEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)13-3-4-15(23-6-8-25-9-7-23)14(10-13)22-16(24)12-2-1-5-21-11-12/h1-5,10-11H,6-9H2,(H,22,24).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyridine-3-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-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1081261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).