2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C50H48Cl4F3N9O7 — CID 159890293

IUPAC2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cc(Cl)nc(Cl)c1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc(Cl)nc(Cl)c1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O3.2C16H15Cl2N3O2/c19-18(20,21)11-27-16-6-3-13(9-23-16)17(25)24-14-4-1-12(2-5-14)15-10-22-7-8-26-15;2*17-14-7-11(8-15(18)21-14)16(22)20-12-3-1-10(2-4-12)13-9-19-5-6-23-13/h1-6,9,15,22H,7-8,10-11H2,(H,24,25);2*1-4,7-8,13,19H,5-6,9H2,(H,20,22)/t15-;2*13-/m110/s1
InChIKeyNUQYMOKQVOELBN-DNMXYQIESA-N
MW1085.80 g/mol
LogP9.54
Rot. Bonds11

About 2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 159890293) has the molecular formula C50H48Cl4F3N9O7 and a molecular weight of 1085.80 g/mol. Its IUPAC name is 2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID159890293
Molecular FormulaC50H48Cl4F3N9O7
Molecular Weight1085.80 g/mol
Exact Mass1083.24
IUPAC Name2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cc(Cl)nc(Cl)c1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc(Cl)nc(Cl)c1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O3.2C16H15Cl2N3O2/c19-18(20,21)11-27-16-6-3-13(9-23-16)17(25)24-14-4-1-12(2-5-14)15-10-22-7-8-26-15;2*17-14-7-11(8-15(18)21-14)16(22)20-12-3-1-10(2-4-12)13-9-19-5-6-23-13/h1-6,9,15,22H,7-8,10-11H2,(H,24,25);2*1-4,7-8,13,19H,5-6,9H2,(H,20,22)/t15-;2*13-/m110/s1
InChIKeyNUQYMOKQVOELBN-DNMXYQIESA-N
XLogP9.54
TPSA198.98 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001085.80
LogP ≤ 59.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Related Compounds

N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56836056
N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 66705789
N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 67240475
N-(4-morpholin-2-ylphenyl)-6-(oxan-4-yloxy)pyridine-3-carboxamide
CID 67241915
N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide
CID 71086851
N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-6-ethoxypyridine-3-carboxamide
CID 71086970
US9663530, Example 13
CID 118541750
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carboxamide
CID 42630297
(S)-N-(4-(morpholin-2-yl)phenyl)-6-(2,2,2-trifluoroethoxy)nicotinamide hydrochloride
CID 66705787
N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 66705788
N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;hydrochloride
CID 67240474
Tert-butyl 4-[3-[(2-chloropyridine-3-carbonyl)amino]-5-(trifluoromethyl)phenoxy]piperidine-1-carboxylate
CID 87971309

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 159890293) is 2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1cc(Cl)nc(Cl)c1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cc(Cl)nc(Cl)c1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is NUQYMOKQVOELBN-DNMXYQIESA-N. The full InChI is InChI=1S/C18H18F3N3O3.2C16H15Cl2N3O2/c19-18(20,21)11-27-16-6-3-13(9-23-16)17(25)24-14-4-1-12(2-5-14)15-10-22-7-8-26-15;2*17-14-7-11(8-15(18)21-14)16(22)20-12-3-1-10(2-4-12)13-9-19-5-6-23-13/h1-6,9,15,22H,7-8,10-11H2,(H,24,25);2*1-4,7-8,13,19H,5-6,9H2,(H,20,22)/t15-;2*13-/m110/s1.
What are the key properties of 2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 1085.80 g/mol, XLogP of 9.54, 11 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;2,6-dichloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyridine-4-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 159890293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).