N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide

C109H100BrClF3N23O9S3 — CID 158758319

IUPACN-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
SMILESCOc1cc(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c(OC)nn1.COc1cc(C)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)cn1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(C)s3)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(Cl)s3)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3sc(Br)cc3C)c(N)n2)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2)nc1N
InChIInChI=1S/C20H20N4O2.C19H19N5O3.C18H16BrN3OS.C18H17N3OS.C17H14ClN3OS.C17H14F3N5O/c1-12-4-6-14(7-5-12)20(25)24-17-9-8-15(19(21)23-17)16-11-22-18(26-3)10-13(16)2;1-11-4-6-12(7-5-11)18(25)22-15-9-8-13(17(20)21-15)14-10-16(26-2)23-24-19(14)27-3;1-10-3-5-12(6-4-10)18(23)22-15-8-7-13(17(20)21-15)16-11(2)9-14(19)24-16;1-11-3-6-13(7-4-11)18(22)21-16-10-8-14(17(19)20-16)15-9-5-12(2)23-15;1-10-2-4-11(5-3-10)17(22)21-15-9-6-12(16(19)20-15)13-7-8-14(18)23-13;1-25-12(9-13(24-25)17(18,19)20)11-7-8-14(22-15(11)21)23-16(26)10-5-3-2-4-6-10/h4-11H,1-3H3,(H3,21,23,24,25);4-10H,1-3H3,(H3,20,21,22,25);3-9H,1-2H3,(H3,20,21,22,23);3-10H,1-2H3,(H3,19,20,21,22);2-9H,1H3,(H3,19,20,21,22);2-9H,1H3,(H3,21,22,23,26)
InChIKeyIOIVJBQIQRCQQU-UHFFFAOYSA-N
MW2144.70 g/mol
LogP23.53
Rot. Bonds21

About N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide

N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 158758319) has the molecular formula C109H100BrClF3N23O9S3 and a molecular weight of 2144.70 g/mol. Its IUPAC name is N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
PubChem CID158758319
Molecular FormulaC109H100BrClF3N23O9S3
Molecular Weight2144.70 g/mol
Exact Mass2141.61
IUPAC NameN-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
SMILESCOc1cc(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c(OC)nn1.COc1cc(C)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)cn1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(C)s3)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(Cl)s3)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3sc(Br)cc3C)c(N)n2)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2)nc1N
InChIInChI=1S/C20H20N4O2.C19H19N5O3.C18H16BrN3OS.C18H17N3OS.C17H14ClN3OS.C17H14F3N5O/c1-12-4-6-14(7-5-12)20(25)24-17-9-8-15(19(21)23-17)16-11-22-18(26-3)10-13(16)2;1-11-4-6-12(7-5-11)18(25)22-15-9-8-13(17(20)21-15)14-10-16(26-2)23-24-19(14)27-3;1-10-3-5-12(6-4-10)18(23)22-15-8-7-13(17(20)21-15)16-11(2)9-14(19)24-16;1-11-3-6-13(7-4-11)18(22)21-16-10-8-14(17(19)20-16)15-9-5-12(2)23-15;1-10-2-4-11(5-3-10)17(22)21-15-9-6-12(16(19)20-15)13-7-8-14(18)23-13;1-25-12(9-13(24-25)17(18,19)20)11-7-8-14(22-15(11)21)23-16(26)10-5-3-2-4-6-10/h4-11H,1-3H3,(H3,21,23,24,25);4-10H,1-3H3,(H3,20,21,22,25);3-9H,1-2H3,(H3,20,21,22,23);3-10H,1-2H3,(H3,19,20,21,22);2-9H,1H3,(H3,19,20,21,22);2-9H,1H3,(H3,21,22,23,26)
InChIKeyIOIVJBQIQRCQQU-UHFFFAOYSA-N
XLogP23.53
TPSA492.24 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds21
Heavy Atoms149
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002144.70
LogP ≤ 523.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Analyze N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide (CID 158758319) is N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide is COc1cc(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c(OC)nn1.COc1cc(C)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)cn1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(C)s3)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3ccc(Cl)s3)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3sc(Br)cc3C)c(N)n2)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2)nc1N.
What is the InChIKey of N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide?
The InChIKey is IOIVJBQIQRCQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.C19H19N5O3.C18H16BrN3OS.C18H17N3OS.C17H14ClN3OS.C17H14F3N5O/c1-12-4-6-14(7-5-12)20(25)24-17-9-8-15(19(21)23-17)16-11-22-18(26-3)10-13(16)2;1-11-4-6-12(7-5-11)18(25)22-15-9-8-13(17(20)21-15)14-10-16(26-2)23-24-19(14)27-3;1-10-3-5-12(6-4-10)18(23)22-15-8-7-13(17(20)21-15)16-11(2)9-14(19)24-16;1-11-3-6-13(7-4-11)18(22)21-16-10-8-14(17(19)20-16)15-9-5-12(2)23-15;1-10-2-4-11(5-3-10)17(22)21-15-9-6-12(16(19)20-15)13-7-8-14(18)23-13;1-25-12(9-13(24-25)17(18,19)20)11-7-8-14(22-15(11)21)23-16(26)10-5-3-2-4-6-10/h4-11H,1-3H3,(H3,21,23,24,25);4-10H,1-3H3,(H3,20,21,22,25);3-9H,1-2H3,(H3,20,21,22,23);3-10H,1-2H3,(H3,19,20,21,22);2-9H,1H3,(H3,19,20,21,22);2-9H,1H3,(H3,21,22,23,26).
What are the key properties of N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide?
N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide has a molecular weight of 2144.70 g/mol, XLogP of 23.53, 21 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chlorothiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,6-dimethoxypyridazin-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-methoxy-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 158758319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).