N-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide

C131H111Cl2F8N15O6 — CID 173063536

IUPACN-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide
SMILESCc1cc(-c2ccc(NC(=O)Cc3cc(F)cc(F)c3)cc2)ccn1.Cc1cc(-c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)ccn1.Cc1cc(-c2ccc(NC(=O)Cc3cccnc3)cc2)ccn1.Cc1cc(-c2cnc(C)nc2)cc([C@H](C)C(=O)N(CC(C)(C(=O)N(CC(C(=O)Nc2ccc(-c3ccnc(C)c3)cc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(-c3ccnc(C)c3)cc2)c2ccccc2)c2ccc(-c3ccnc(C)c3)cc2)c1
InChIInChI=1S/C72H62F6N8O3.C20H16Cl2N2O.C20H16F2N2O.C19H17N3O/c1-44-31-56(36-57(32-44)59-40-82-49(6)83-41-59)48(5)68(88)86(65-23-17-52(18-24-65)55-27-30-81-47(4)35-55)43-70(7,60-11-9-8-10-12-60)69(89)85(64-21-15-51(16-22-64)54-26-29-80-46(3)34-54)42-66(58-37-61(71(73,74)75)39-62(38-58)72(76,77)78)67(87)84-63-19-13-50(14-20-63)53-25-28-79-45(2)33-53;1-13-10-16(8-9-23-13)15-3-5-17(6-4-15)24-20(25)12-14-2-7-18(21)19(22)11-14;1-13-8-16(6-7-23-13)15-2-4-19(5-3-15)24-20(25)11-14-9-17(21)12-18(22)10-14;1-14-11-17(8-10-21-14)16-4-6-18(7-5-16)22-19(23)12-15-3-2-9-20-13-15/h8-41,48,66H,42-43H2,1-7H3,(H,84,87);2-11H,12H2,1H3,(H,24,25);2-10,12H,11H2,1H3,(H,24,25);2-11,13H,12H2,1H3,(H,22,23)/t48-,66?,70?;;;/m0.../s1
InChIKeyXDLDPSNUQQVCNE-USXZJVSMSA-N
MW2214.32 g/mol
LogP30.15
Rot. Bonds29

About N-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide

N-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide (PubChem CID 173063536) has the molecular formula C131H111Cl2F8N15O6 and a molecular weight of 2214.32 g/mol. Its IUPAC name is N-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide
PubChem CID173063536
Molecular FormulaC131H111Cl2F8N15O6
Molecular Weight2214.32 g/mol
Exact Mass2211.81
IUPAC NameN-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide
SMILESCc1cc(-c2ccc(NC(=O)Cc3cc(F)cc(F)c3)cc2)ccn1.Cc1cc(-c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)ccn1.Cc1cc(-c2ccc(NC(=O)Cc3cccnc3)cc2)ccn1.Cc1cc(-c2cnc(C)nc2)cc([C@H](C)C(=O)N(CC(C)(C(=O)N(CC(C(=O)Nc2ccc(-c3ccnc(C)c3)cc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(-c3ccnc(C)c3)cc2)c2ccccc2)c2ccc(-c3ccnc(C)c3)cc2)c1
InChIInChI=1S/C72H62F6N8O3.C20H16Cl2N2O.C20H16F2N2O.C19H17N3O/c1-44-31-56(36-57(32-44)59-40-82-49(6)83-41-59)48(5)68(88)86(65-23-17-52(18-24-65)55-27-30-81-47(4)35-55)43-70(7,60-11-9-8-10-12-60)69(89)85(64-21-15-51(16-22-64)54-26-29-80-46(3)34-54)42-66(58-37-61(71(73,74)75)39-62(38-58)72(76,77)78)67(87)84-63-19-13-50(14-20-63)53-25-28-79-45(2)33-53;1-13-10-16(8-9-23-13)15-3-5-17(6-4-15)24-20(25)12-14-2-7-18(21)19(22)11-14;1-13-8-16(6-7-23-13)15-2-4-19(5-3-15)24-20(25)11-14-9-17(21)12-18(22)10-14;1-14-11-17(8-10-21-14)16-4-6-18(7-5-16)22-19(23)12-15-3-2-9-20-13-15/h8-41,48,66H,42-43H2,1-7H3,(H,84,87);2-11H,12H2,1H3,(H,24,25);2-10,12H,11H2,1H3,(H,24,25);2-11,13H,12H2,1H3,(H,22,23)/t48-,66?,70?;;;/m0.../s1
InChIKeyXDLDPSNUQQVCNE-USXZJVSMSA-N
XLogP30.15
TPSA273.03 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002214.32
LogP ≤ 530.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze N-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide with MolForge

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Related Compounds

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CID 157436201
CID 157978722
CID 157978722
CID 158293886
CID 158293886
CID 158503821
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CID 158835075
CID 158835075
CID 159022390
CID 159022390
CID 159126268
CID 159126268
CID 159143702
CID 159143702
CID 159384697
CID 159384697

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide (CID 173063536) is N-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide is Cc1cc(-c2ccc(NC(=O)Cc3cc(F)cc(F)c3)cc2)ccn1.Cc1cc(-c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)ccn1.Cc1cc(-c2ccc(NC(=O)Cc3cccnc3)cc2)ccn1.Cc1cc(-c2cnc(C)nc2)cc([C@H](C)C(=O)N(CC(C)(C(=O)N(CC(C(=O)Nc2ccc(-c3ccnc(C)c3)cc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(-c3ccnc(C)c3)cc2)c2ccccc2)c2ccc(-c3ccnc(C)c3)cc2)c1.
What is the InChIKey of N-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide?
The InChIKey is XDLDPSNUQQVCNE-USXZJVSMSA-N. The full InChI is InChI=1S/C72H62F6N8O3.C20H16Cl2N2O.C20H16F2N2O.C19H17N3O/c1-44-31-56(36-57(32-44)59-40-82-49(6)83-41-59)48(5)68(88)86(65-23-17-52(18-24-65)55-27-30-81-47(4)35-55)43-70(7,60-11-9-8-10-12-60)69(89)85(64-21-15-51(16-22-64)54-26-29-80-46(3)34-54)42-66(58-37-61(71(73,74)75)39-62(38-58)72(76,77)78)67(87)84-63-19-13-50(14-20-63)53-25-28-79-45(2)33-53;1-13-10-16(8-9-23-13)15-3-5-17(6-4-15)24-20(25)12-14-2-7-18(21)19(22)11-14;1-13-8-16(6-7-23-13)15-2-4-19(5-3-15)24-20(25)11-14-9-17(21)12-18(22)10-14;1-14-11-17(8-10-21-14)16-4-6-18(7-5-16)22-19(23)12-15-3-2-9-20-13-15/h8-41,48,66H,42-43H2,1-7H3,(H,84,87);2-11H,12H2,1H3,(H,24,25);2-10,12H,11H2,1H3,(H,24,25);2-11,13H,12H2,1H3,(H,22,23)/t48-,66?,70?;;;/m0.../s1.
What are the key properties of N-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide?
N-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide has a molecular weight of 2214.32 g/mol, XLogP of 30.15, 29 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(2-methyl-4-pyridinyl)anilino]-3-oxopropyl]-2-methyl-3-[N-[(2S)-2-[3-methyl-5-(2-methylpyrimidin-5-yl)phenyl]propanoyl]-4-(2-methyl-4-pyridinyl)anilino]-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylpropanamide;2-(3,4-dichlorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;2-(3,5-difluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]acetamide;N-[4-(2-methyl-4-pyridinyl)phenyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 173063536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).