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

C51H48F9N9O6 — CID 158449523

IUPACN-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(C(F)(F)F)c1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/3C17H16F3N3O2/c2*18-17(19,20)15-6-3-12(9-22-15)16(24)23-13-4-1-11(2-5-13)14-10-21-7-8-25-14;18-17(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/h3*1-6,9,14,21H,7-8,10H2,(H,23,24)/t2*14-;/m10./s1
InChIKeyHDURRRMCPNQJHS-LMRQLNNXSA-N
MW1053.98 g/mol
LogP9.04
Rot. Bonds9

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

N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 158449523) has the molecular formula C51H48F9N9O6 and a molecular weight of 1053.98 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID158449523
Molecular FormulaC51H48F9N9O6
Molecular Weight1053.98 g/mol
Exact Mass1053.36
IUPAC NameN-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(C(F)(F)F)c1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/3C17H16F3N3O2/c2*18-17(19,20)15-6-3-12(9-22-15)16(24)23-13-4-1-11(2-5-13)14-10-21-7-8-25-14;18-17(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/h3*1-6,9,14,21H,7-8,10H2,(H,23,24)/t2*14-;/m10./s1
InChIKeyHDURRRMCPNQJHS-LMRQLNNXSA-N
XLogP9.04
TPSA189.75 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001053.98
LogP ≤ 59.04
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 66705980
N-(4-morpholin-2-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67239273
N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67239559
N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67240142
6-cyano-N-(4-morpholin-2-ylphenyl)pyridine-3-carboxamide
CID 67240533
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 71086682
N-[3-fluoro-4-[(2R)-morpholin-2-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 71086974
US9663530, Example 37
CID 118541782
US9790230, Example 44
CID 118700345
US9790230, Example 72
CID 118700382
US10508107, Example 10
CID 67240538
US11697636, Example 289
CID 156134897

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 158449523) is N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1ccnc(C(F)(F)F)c1.O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HDURRRMCPNQJHS-LMRQLNNXSA-N. The full InChI is InChI=1S/3C17H16F3N3O2/c2*18-17(19,20)15-6-3-12(9-22-15)16(24)23-13-4-1-11(2-5-13)14-10-21-7-8-25-14;18-17(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/h3*1-6,9,14,21H,7-8,10H2,(H,23,24)/t2*14-;/m10./s1.
What are the key properties of N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 1053.98 g/mol, XLogP of 9.04, 9 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 158449523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).