4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide

C88H65ClF8N18O12 — CID 161278130

IUPAC4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
SMILESCC(F)(F)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.COc1ccnc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cc(Cl)ccn1.[2H]C([2H])(C)Oc1ccnc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C19H14F3N3O2.C18H15FN4O3.C18H14FN3O2.C17H13FN4O3.C16H9ClF2N4O2/c1-19(21,22)13-4-2-3-12(5-13)18(26)25-15-6-14(20)7-16(8-15)27-17-9-23-11-24-10-17;1-2-25-14-3-4-22-17(8-14)18(24)23-13-5-12(19)6-15(7-13)26-16-9-20-11-21-10-16;1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-24-13-2-3-21-16(7-13)17(23)22-12-4-11(18)5-14(6-12)25-15-8-19-10-20-9-15;17-9-1-2-22-13(3-9)16(24)23-10-4-12(18)15(19)14(5-10)25-11-6-20-8-21-7-11/h2-11H,1H3,(H,25,26);3-11H,2H2,1H3,(H,23,24);2-11H,1H3,(H,22,23);2-10H,1H3,(H,22,23);1-8H,(H,23,24)/i;2D2;;;
InChIKeyVESFLCQZQBNLHY-FTHDYYNZSA-N
MW1756.05 g/mol
LogP19.11
Rot. Bonds24

About 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide

4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide (PubChem CID 161278130) has the molecular formula C88H65ClF8N18O12 and a molecular weight of 1756.05 g/mol. Its IUPAC name is 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
PubChem CID161278130
Molecular FormulaC88H65ClF8N18O12
Molecular Weight1756.05 g/mol
Exact Mass1754.47
IUPAC Name4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
SMILESCC(F)(F)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.COc1ccnc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cc(Cl)ccn1.[2H]C([2H])(C)Oc1ccnc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1
InChIInChI=1S/C19H14F3N3O2.C18H15FN4O3.C18H14FN3O2.C17H13FN4O3.C16H9ClF2N4O2/c1-19(21,22)13-4-2-3-12(5-13)18(26)25-15-6-14(20)7-16(8-15)27-17-9-23-11-24-10-17;1-2-25-14-3-4-22-17(8-14)18(24)23-13-5-12(19)6-15(7-13)26-16-9-20-11-21-10-16;1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-24-13-2-3-21-16(7-13)17(23)22-12-4-11(18)5-14(6-12)25-15-8-19-10-20-9-15;17-9-1-2-22-13(3-9)16(24)23-10-4-12(18)15(19)14(5-10)25-11-6-20-8-21-7-11/h2-11H,1H3,(H,25,26);3-11H,2H2,1H3,(H,23,24);2-11H,1H3,(H,22,23);2-10H,1H3,(H,22,23);1-8H,(H,23,24)/i;2D2;;;
InChIKeyVESFLCQZQBNLHY-FTHDYYNZSA-N
XLogP19.11
TPSA377.68 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds24
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001756.05
LogP ≤ 519.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide with MolForge

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Related Compounds

3-chloro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[4-fluoro-3-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89714018
4-chloro-3-fluoro-N-[3-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]benzamide;4-chloro-N-[3-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89714186
4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]benzamide;4-chloro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89714278
4-chloro-3-fluoro-N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]benzamide;4-chloro-N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89714284
4-chloro-3-fluoro-N-[2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]benzamide;4-chloro-N-[2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89714331
4-chloro-N-[2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;N-[2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89714430
3-chloro-N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89714434
4-chloro-3-fluoro-N-[2,3,5-trifluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;3-fluoro-N-[2,3,5-trifluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;3-(trifluoromethyl)-N-[2,3,5-trifluoro-4-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide
CID 89719267
4-chloro-N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;3-chloro-N-[3-fluoro-5-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3-fluoro-5-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89719564
4-chloro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89719612
4-chloro-N-[3-fluoro-4-(3-imidazol-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[3-fluoro-4-(3-pyridin-3-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;N-[2,3-difluoro-4-[3-(6-methyl-3-pyridinyl)quinoxalin-6-yl]oxyphenyl]-3-fluorobenzamide
CID 89719630
4-chloro-N-[3-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[3-(3-piperazin-1-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89719686

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
The IUPAC name of 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide (CID 161278130) is 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
The canonical SMILES for 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide is CC(F)(F)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.COc1ccnc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cc(Cl)ccn1.[2H]C([2H])(C)Oc1ccnc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.
What is the InChIKey of 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
The InChIKey is VESFLCQZQBNLHY-FTHDYYNZSA-N. The full InChI is InChI=1S/C19H14F3N3O2.C18H15FN4O3.C18H14FN3O2.C17H13FN4O3.C16H9ClF2N4O2/c1-19(21,22)13-4-2-3-12(5-13)18(26)25-15-6-14(20)7-16(8-15)27-17-9-23-11-24-10-17;1-2-25-14-3-4-22-17(8-14)18(24)23-13-5-12(19)6-15(7-13)26-16-9-20-11-21-10-16;1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-24-13-2-3-21-16(7-13)17(23)22-12-4-11(18)5-14(6-12)25-15-8-19-10-20-9-15;17-9-1-2-22-13(3-9)16(24)23-10-4-12(18)15(19)14(5-10)25-11-6-20-8-21-7-11/h2-11H,1H3,(H,25,26);3-11H,2H2,1H3,(H,23,24);2-11H,1H3,(H,22,23);2-10H,1H3,(H,22,23);1-8H,(H,23,24)/i;2D2;;;.
What are the key properties of 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide has a molecular weight of 1756.05 g/mol, XLogP of 19.11, 24 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;4-(1,1-dideuterioethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 161278130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).