N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide

C125H110Br2ClF7N20O12 — CID 158382393

IUPACN-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide
SMILESCOc1c(Br)cc(C)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.COc1cc(C=O)c(C)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.COc1cc2ccccc2cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.COc1ccc(OC(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.Cc1ccc(C(=O)Nc2ccc(-c3c(Cl)ccc(C)c3F)c(N)n2)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccc(Br)c2)nc1N
InChIInChI=1S/C24H21N3O2.C22H21N3O3.C21H20BrN3O2.C21H18F3N3O3.C20H17ClFN3O.C17H13BrF3N5O/c1-15-7-9-16(10-8-15)24(28)27-22-12-11-19(23(25)26-22)20-13-17-5-3-4-6-18(17)14-21(20)29-2;1-13-4-6-15(7-5-13)22(27)25-20-9-8-17(21(23)24-20)18-10-14(2)16(12-26)11-19(18)28-3;1-12-4-6-14(7-5-12)21(26)25-18-9-8-15(20(23)24-18)16-10-13(2)11-17(22)19(16)27-3;1-12-3-5-13(6-4-12)20(28)27-18-10-8-15(19(25)26-18)16-11-14(30-21(22,23)24)7-9-17(16)29-2;1-11-3-6-13(7-4-11)20(26)25-16-10-8-14(19(23)24-16)17-15(21)9-5-12(2)18(17)22;1-26-12(8-13(25-26)17(19,20)21)11-5-6-14(23-15(11)22)24-16(27)9-3-2-4-10(18)7-9/h3-14H,1-2H3,(H3,25,26,27,28);4-12H,1-3H3,(H3,23,24,25,27);4-11H,1-3H3,(H3,23,24,25,26);3-11H,1-2H3,(H3,25,26,27,28);3-10H,1-2H3,(H3,23,24,25,26);2-8H,1H3,(H3,22,23,24,27)
InChIKeyGVYNTPUYFBLRTI-UHFFFAOYSA-N
MW2412.63 g/mol
LogP27.93
Rot. Bonds24

About N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide

N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide (PubChem CID 158382393) has the molecular formula C125H110Br2ClF7N20O12 and a molecular weight of 2412.63 g/mol. Its IUPAC name is N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide
PubChem CID158382393
Molecular FormulaC125H110Br2ClF7N20O12
Molecular Weight2412.63 g/mol
Exact Mass2408.66
IUPAC NameN-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide
SMILESCOc1c(Br)cc(C)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.COc1cc(C=O)c(C)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.COc1cc2ccccc2cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.COc1ccc(OC(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.Cc1ccc(C(=O)Nc2ccc(-c3c(Cl)ccc(C)c3F)c(N)n2)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccc(Br)c2)nc1N
InChIInChI=1S/C24H21N3O2.C22H21N3O3.C21H20BrN3O2.C21H18F3N3O3.C20H17ClFN3O.C17H13BrF3N5O/c1-15-7-9-16(10-8-15)24(28)27-22-12-11-19(23(25)26-22)20-13-17-5-3-4-6-18(17)14-21(20)29-2;1-13-4-6-15(7-5-13)22(27)25-20-9-8-17(21(23)24-20)18-10-14(2)16(12-26)11-19(18)28-3;1-12-4-6-14(7-5-12)21(26)25-18-9-8-15(20(23)24-18)16-10-13(2)11-17(22)19(16)27-3;1-12-3-5-13(6-4-12)20(28)27-18-10-8-15(19(25)26-18)16-11-14(30-21(22,23)24)7-9-17(16)29-2;1-11-3-6-13(7-4-11)20(26)25-16-10-8-14(19(23)24-16)17-15(21)9-5-12(2)18(17)22;1-26-12(8-13(25-26)17(19,20)21)11-5-6-14(23-15(11)22)24-16(27)9-3-2-4-10(18)7-9/h3-14H,1-2H3,(H3,25,26,27,28);4-12H,1-3H3,(H3,23,24,25,27);4-11H,1-3H3,(H3,23,24,25,26);3-11H,1-2H3,(H3,25,26,27,28);3-10H,1-2H3,(H3,23,24,25,26);2-8H,1H3,(H3,22,23,24,27)
InChIKeyGVYNTPUYFBLRTI-UHFFFAOYSA-N
XLogP27.93
TPSA489.10 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds24
Heavy Atoms167
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002412.63
LogP ≤ 527.93
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide?
The IUPAC name of N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide (CID 158382393) is N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide.
What is the SMILES notation for N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide?
The canonical SMILES for N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide is COc1c(Br)cc(C)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.COc1cc(C=O)c(C)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.COc1cc2ccccc2cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.COc1ccc(OC(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(C)cc2)nc1N.Cc1ccc(C(=O)Nc2ccc(-c3c(Cl)ccc(C)c3F)c(N)n2)cc1.Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccc(Br)c2)nc1N.
What is the InChIKey of N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide?
The InChIKey is GVYNTPUYFBLRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2.C22H21N3O3.C21H20BrN3O2.C21H18F3N3O3.C20H17ClFN3O.C17H13BrF3N5O/c1-15-7-9-16(10-8-15)24(28)27-22-12-11-19(23(25)26-22)20-13-17-5-3-4-6-18(17)14-21(20)29-2;1-13-4-6-15(7-5-13)22(27)25-20-9-8-17(21(23)24-20)18-10-14(2)16(12-26)11-19(18)28-3;1-12-4-6-14(7-5-12)21(26)25-18-9-8-15(20(23)24-18)16-10-13(2)11-17(22)19(16)27-3;1-12-3-5-13(6-4-12)20(28)27-18-10-8-15(19(25)26-18)16-11-14(30-21(22,23)24)7-9-17(16)29-2;1-11-3-6-13(7-4-11)20(26)25-16-10-8-14(19(23)24-16)17-15(21)9-5-12(2)18(17)22;1-26-12(8-13(25-26)17(19,20)21)11-5-6-14(23-15(11)22)24-16(27)9-3-2-4-10(18)7-9/h3-14H,1-2H3,(H3,25,26,27,28);4-12H,1-3H3,(H3,23,24,25,27);4-11H,1-3H3,(H3,23,24,25,26);3-11H,1-2H3,(H3,25,26,27,28);3-10H,1-2H3,(H3,23,24,25,26);2-8H,1H3,(H3,22,23,24,27).
What are the key properties of N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide?
N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide has a molecular weight of 2412.63 g/mol, XLogP of 27.93, 24 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(3-bromo-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-2-fluoro-3-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(4-formyl-2-methoxy-5-methylphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxynaphthalen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[2-methoxy-5-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-bromobenzamide is sourced from PubChem (CID 158382393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).