N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide

C45H46F4N8O5 — CID 161135253

IUPACN-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(F)cc1-c1ncccn1)[C@@H](C)COc1ccc(C)cn1.CCN(C(=O)c1cccc(F)c1-c1ncccn1)[C@@H](C)COc1ccc(OC(C)(F)F)cn1
InChIInChI=1S/C23H23F3N4O3.C22H23FN4O2/c1-4-30(15(2)14-32-19-10-9-16(13-29-19)33-23(3,25)26)22(31)17-7-5-8-18(24)20(17)21-27-11-6-12-28-21;1-4-27(16(3)14-29-20-9-6-15(2)13-26-20)22(28)18-8-7-17(23)12-19(18)21-24-10-5-11-25-21/h5-13,15H,4,14H2,1-3H3;5-13,16H,4,14H2,1-3H3/t15-;16-/m00/s1
InChIKeyUMSBAMILSIQJAQ-HYDPEUQHSA-N
MW854.91 g/mol
LogP8.51
Rot. Bonds16

About N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide

N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide (PubChem CID 161135253) has the molecular formula C45H46F4N8O5 and a molecular weight of 854.91 g/mol. Its IUPAC name is N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
PubChem CID161135253
Molecular FormulaC45H46F4N8O5
Molecular Weight854.91 g/mol
Exact Mass854.35
IUPAC NameN-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
SMILESCCN(C(=O)c1ccc(F)cc1-c1ncccn1)[C@@H](C)COc1ccc(C)cn1.CCN(C(=O)c1cccc(F)c1-c1ncccn1)[C@@H](C)COc1ccc(OC(C)(F)F)cn1
InChIInChI=1S/C23H23F3N4O3.C22H23FN4O2/c1-4-30(15(2)14-32-19-10-9-16(13-29-19)33-23(3,25)26)22(31)17-7-5-8-18(24)20(17)21-27-11-6-12-28-21;1-4-27(16(3)14-29-20-9-6-15(2)13-26-20)22(28)18-8-7-17(23)12-19(18)21-24-10-5-11-25-21/h5-13,15H,4,14H2,1-3H3;5-13,16H,4,14H2,1-3H3/t15-;16-/m00/s1
InChIKeyUMSBAMILSIQJAQ-HYDPEUQHSA-N
XLogP8.51
TPSA145.65 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500854.91
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide with MolForge

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Related Compounds

N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
CID 157137244
N-[(2S)-1-[[5-(1,1-difluoroethyl)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-2-fluoro-6-pyrimidin-2-ylbenzamide
CID 157499821
N-[(2S)-1-[5-(1,1-difluoroethyl)pyrimidin-2-yl]oxypropan-2-yl]-N-ethyl-2-pyrimidin-2-ylbenzamide
CID 160867836
N-ethyl-4-fluoro-N-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]-2-pyrimidin-2-ylbenzamide
CID 139504593
N-ethyl-4-fluoro-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577195
N-ethyl-6-methyl-2-(1-methyl-3H-pyrazol-1-ium-3-yl)-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]pyridine-3-carboxamide
CID 161223448
N-ethyl-2-(1-methyl-2-oxo-4-pyridinyl)-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577124
N-ethyl-5-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577208
N-[(2S)-1-[[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 158843578
2-(5-cyano-3-pyridinyl)-N-ethyl-N-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146576851
N-ethyl-2-(4-ethyl-2-methyl-4H-1,3-oxazin-6-yl)-4-methyl-N-[(2S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]benzamide
CID 146577493
N-ethyl-3,4-difluoro-2-pyrimidin-2-yl-N-[(2S)-1-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]propan-2-yl]benzamide
CID 137473850

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide?
The IUPAC name of N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide (CID 161135253) is N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide is CCN(C(=O)c1ccc(F)cc1-c1ncccn1)[C@@H](C)COc1ccc(C)cn1.CCN(C(=O)c1cccc(F)c1-c1ncccn1)[C@@H](C)COc1ccc(OC(C)(F)F)cn1.
What is the InChIKey of N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide?
The InChIKey is UMSBAMILSIQJAQ-HYDPEUQHSA-N. The full InChI is InChI=1S/C23H23F3N4O3.C22H23FN4O2/c1-4-30(15(2)14-32-19-10-9-16(13-29-19)33-23(3,25)26)22(31)17-7-5-8-18(24)20(17)21-27-11-6-12-28-21;1-4-27(16(3)14-29-20-9-6-15(2)13-26-20)22(28)18-8-7-17(23)12-19(18)21-24-10-5-11-25-21/h5-13,15H,4,14H2,1-3H3;5-13,16H,4,14H2,1-3H3/t15-;16-/m00/s1.
What are the key properties of N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide?
N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide has a molecular weight of 854.91 g/mol, XLogP of 8.51, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[5-(1,1-difluoroethoxy)-2-pyridinyl]oxy]propan-2-yl]-N-ethyl-3-fluoro-2-pyrimidin-2-ylbenzamide;N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 161135253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).