N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide

C112H95Br3Cl2F5N19O8S3 — CID 160879456

IUPACN-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c(C(F)(F)F)c1.Cc1ccc(C(=O)Nc2ccc(-c3c(C)csc3Br)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3c(C)csc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(O)ccc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(F)nc3F)c(N)n2)cc1.Cc1ccc(C(=O)Nc2nc(N)c(-c3c(C)csc3Br)cc2Br)cc1
InChIInChI=1S/C21H18F3N3O2.C19H16ClN3O2.C18H15Br2N3OS.C18H16BrN3OS.C18H16ClN3OS.C18H14F2N4O/c1-12-3-5-13(6-4-12)20(28)27-18-10-9-16(19(25)26-18)15-8-7-14(29-2)11-17(15)21(22,23)24;1-11-2-4-12(5-3-11)19(25)23-17-9-7-14(18(21)22-17)15-10-13(24)6-8-16(15)20;1-9-3-5-11(6-4-9)18(24)23-17-13(19)7-12(16(21)22-17)14-10(2)8-25-15(14)20;2*1-10-3-5-12(6-4-10)18(23)22-14-8-7-13(17(20)21-14)15-11(2)9-24-16(15)19;1-10-2-4-11(5-3-10)18(25)24-15-9-7-13(17(21)23-15)12-6-8-14(19)22-16(12)20/h3-11H,1-2H3,(H3,25,26,27,28);2-10,24H,1H3,(H3,21,22,23,25);3-8H,1-2H3,(H3,21,22,23,24);2*3-9H,1-2H3,(H3,20,21,22,23);2-9H,1H3,(H3,21,23,24,25)
InChIKeySMVNYIHZBYUAMZ-UHFFFAOYSA-N
MW2336.93 g/mol
LogP28.46
Rot. Bonds19

About N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide

N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide (PubChem CID 160879456) has the molecular formula C112H95Br3Cl2F5N19O8S3 and a molecular weight of 2336.93 g/mol. Its IUPAC name is N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
PubChem CID160879456
Molecular FormulaC112H95Br3Cl2F5N19O8S3
Molecular Weight2336.93 g/mol
Exact Mass2331.36
IUPAC NameN-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c(C(F)(F)F)c1.Cc1ccc(C(=O)Nc2ccc(-c3c(C)csc3Br)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3c(C)csc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(O)ccc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(F)nc3F)c(N)n2)cc1.Cc1ccc(C(=O)Nc2nc(N)c(-c3c(C)csc3Br)cc2Br)cc1
InChIInChI=1S/C21H18F3N3O2.C19H16ClN3O2.C18H15Br2N3OS.C18H16BrN3OS.C18H16ClN3OS.C18H14F2N4O/c1-12-3-5-13(6-4-12)20(28)27-18-10-9-16(19(25)26-18)15-8-7-14(29-2)11-17(15)21(22,23)24;1-11-2-4-12(5-3-11)19(25)23-17-9-7-14(18(21)22-17)15-10-13(24)6-8-16(15)20;1-9-3-5-11(6-4-9)18(24)23-17-13(19)7-12(16(21)22-17)14-10(2)8-25-15(14)20;2*1-10-3-5-12(6-4-10)18(23)22-14-8-7-13(17(20)21-14)15-11(2)9-24-16(15)19;1-10-2-4-11(5-3-10)18(25)24-15-9-7-13(17(21)23-15)12-6-8-14(19)22-16(12)20/h3-11H,1-2H3,(H3,25,26,27,28);2-10,24H,1H3,(H3,21,22,23,25);3-8H,1-2H3,(H3,21,22,23,24);2*3-9H,1-2H3,(H3,20,21,22,23);2-9H,1H3,(H3,21,23,24,25)
InChIKeySMVNYIHZBYUAMZ-UHFFFAOYSA-N
XLogP28.46
TPSA450.41 Ų
H-Bond Donors13
H-Bond Acceptors24
Rotatable Bonds19
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002336.93
LogP ≤ 528.46
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-difluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-fluoro-2,5-dimethylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 158480142
N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-difluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 158867904
N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-difluorophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 159156262
N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-chlorobenzamide;N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 162114234
N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide;N-[6-amino-5-(2-methyl-5-nitrophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;methane
CID 159472201

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide (CID 160879456) is N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide is COc1ccc(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c(C(F)(F)F)c1.Cc1ccc(C(=O)Nc2ccc(-c3c(C)csc3Br)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3c(C)csc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(O)ccc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(F)nc3F)c(N)n2)cc1.Cc1ccc(C(=O)Nc2nc(N)c(-c3c(C)csc3Br)cc2Br)cc1.
What is the InChIKey of N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide?
The InChIKey is SMVNYIHZBYUAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O2.C19H16ClN3O2.C18H15Br2N3OS.C18H16BrN3OS.C18H16ClN3OS.C18H14F2N4O/c1-12-3-5-13(6-4-12)20(28)27-18-10-9-16(19(25)26-18)15-8-7-14(29-2)11-17(15)21(22,23)24;1-11-2-4-12(5-3-11)19(25)23-17-9-7-14(18(21)22-17)15-10-13(24)6-8-16(15)20;1-9-3-5-11(6-4-9)18(24)23-17-13(19)7-12(16(21)22-17)14-10(2)8-25-15(14)20;2*1-10-3-5-12(6-4-10)18(23)22-14-8-7-13(17(20)21-14)15-11(2)9-24-16(15)19;1-10-2-4-11(5-3-10)18(25)24-15-9-7-13(17(21)23-15)12-6-8-14(19)22-16(12)20/h3-11H,1-2H3,(H3,25,26,27,28);2-10,24H,1H3,(H3,21,22,23,25);3-8H,1-2H3,(H3,21,22,23,24);2*3-9H,1-2H3,(H3,20,21,22,23);2-9H,1H3,(H3,21,23,24,25).
What are the key properties of N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide?
N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide has a molecular weight of 2336.93 g/mol, XLogP of 28.46, 19 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-3-bromo-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-bromo-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-hydroxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-4-methylthiophen-3-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[4-methoxy-2-(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 160879456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).