4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C53H56BCl2F6IN8O6 — CID 165022919

IUPAC4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESC.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(Cl)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(I)cc(N2CCOCC2)n1
InChIInChI=1S/C23H20ClF3N4O2.C20H22BF3N2O3.C9H10ClIN2O.CH4/c1-14-2-3-17(29-22(32)15-4-5-28-19(10-15)23(25,26)27)13-18(14)16-11-20(24)30-21(12-16)31-6-8-33-9-7-31;1-12-6-7-14(11-15(12)21-28-18(2,3)19(4,5)29-21)26-17(27)13-8-9-25-16(10-13)20(22,23)24;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;/h2-5,10-13H,6-9H2,1H3,(H,29,32);6-11H,1-5H3,(H,26,27);5-6H,1-4H2;1H4
InChIKeyLLFDRLFKIUFCIA-UHFFFAOYSA-N
MW1223.69 g/mol
LogP11.99
Rot. Bonds8

About 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 165022919) has the molecular formula C53H56BCl2F6IN8O6 and a molecular weight of 1223.69 g/mol. Its IUPAC name is 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID165022919
Molecular FormulaC53H56BCl2F6IN8O6
Molecular Weight1223.69 g/mol
Exact Mass1222.27
IUPAC Name4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESC.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(Cl)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(I)cc(N2CCOCC2)n1
InChIInChI=1S/C23H20ClF3N4O2.C20H22BF3N2O3.C9H10ClIN2O.CH4/c1-14-2-3-17(29-22(32)15-4-5-28-19(10-15)23(25,26)27)13-18(14)16-11-20(24)30-21(12-16)31-6-8-33-9-7-31;1-12-6-7-14(11-15(12)21-28-18(2,3)19(4,5)29-21)26-17(27)13-8-9-25-16(10-13)20(22,23)24;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;/h2-5,10-13H,6-9H2,1H3,(H,29,32);6-11H,1-5H3,(H,26,27);5-6H,1-4H2;1H4
InChIKeyLLFDRLFKIUFCIA-UHFFFAOYSA-N
XLogP11.99
TPSA153.16 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001223.69
LogP ≤ 511.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

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Related Compounds

2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-methylphenyl]pyridine-4-carboxamide
CID 90461292
N-[3-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 117610072
US12319655, Example 15
CID 168929680
N-(3-(2-chloro-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide
CID 90456747
N-[3-[2-[2-[2-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]ethyl-methylamino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
CID 130425771
5-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-methylpropylamino)pyridine-3-carboxamide;N-[4-chloro-3-(4-ethyl-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide
CID 157054989
bis(4-(2-chloropyrido[2,3-d]pyrimidin-4-yl)morpholine);2,4-dichloropyrido[2,3-d]pyrimidine;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;morpholine
CID 157153256
14-chloro-10-ethyl-5,8-dioxa-10,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-trien-9-one;N-[3-(10-ethyl-9-oxo-5,8-dioxa-10,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-trien-14-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157776558
tert-butyl N-[1-[4-(5-amino-2-methylphenyl)-6-chloro-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-chloro-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[1-[6-(3,6-dihydro-2H-pyran-4-yl)-4-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate;tert-butyl N-[4-methyl-1-[4-[2-methyl-5-[[2-(trifluoromethyl)piperidine-4-carbonyl]amino]phenyl]-6-(oxan-4-yl)-2-pyridinyl]piperidin-4-yl]carbamate;3-(2,6-dichloro-4-pyridinyl)-4-methylaniline
CID 158310533
N-[3-[7-chloro-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-(7-ethenyl-2-ethylpyrido[2,3-d]pyrimidin-6-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;1-ethenyl-3,3,4,4-tetramethylborolane
CID 158326208
4-(2-chloro-6-prop-1-en-2-ylpyrimidin-4-yl)morpholine;4-(4-chloro-6-prop-1-en-2-ylpyrimidin-2-yl)morpholine;2,4-dichloro-6-prop-1-en-2-ylpyrimidine;4,6-dichloro-2-prop-1-en-2-ylpyrimidine;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide;oxane;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;2,4,6-trichloropyrimidine
CID 158449221
4-(6-chloropyrimidin-4-yl)morpholine;4,6-dichloropyrimidine;N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 159346415

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 165022919) is 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is C.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(Cl)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1B1OC(C)(C)C(C)(C)O1.Clc1cc(I)cc(N2CCOCC2)n1.
What is the InChIKey of 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is LLFDRLFKIUFCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N4O2.C20H22BF3N2O3.C9H10ClIN2O.CH4/c1-14-2-3-17(29-22(32)15-4-5-28-19(10-15)23(25,26)27)13-18(14)16-11-20(24)30-21(12-16)31-6-8-33-9-7-31;1-12-6-7-14(11-15(12)21-28-18(2,3)19(4,5)29-21)26-17(27)13-8-9-25-16(10-13)20(22,23)24;10-8-5-7(11)6-9(12-8)13-1-3-14-4-2-13;/h2-5,10-13H,6-9H2,1H3,(H,29,32);6-11H,1-5H3,(H,26,27);5-6H,1-4H2;1H4.
What are the key properties of 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 1223.69 g/mol, XLogP of 11.99, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-4-iodo-2-pyridinyl)morpholine;N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;methane;N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 165022919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).