N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide

C142H129Cl3FN23O15 — CID 159342507

IUPACN-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3cccc(C)c3)nc2N)cc1OC.COc1ccc(Cl)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccc(F)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccc(OC)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1cccc(-c2ccc(NC(=O)c3cccc(C)c3)nc2N)c1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C#N)ccc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(N)=O)ccc3Cl)c(N)n2)cc1
InChIInChI=1S/2C21H21N3O3.C20H17ClN4O2.C20H15ClN4O.C20H18ClN3O2.C20H18FN3O2.C20H19N3O2/c1-13-4-6-14(7-5-13)21(25)24-19-11-9-16(20(22)23-19)17-12-15(26-2)8-10-18(17)27-3;1-13-5-4-6-15(11-13)21(25)24-19-10-8-16(20(22)23-19)14-7-9-17(26-2)18(12-14)27-3;1-11-2-4-12(5-3-11)20(27)25-17-9-7-14(18(22)24-17)15-10-13(19(23)26)6-8-16(15)21;1-12-2-5-14(6-3-12)20(26)25-18-9-7-15(19(23)24-18)16-10-13(11-22)4-8-17(16)21;2*1-12-3-5-13(6-4-12)20(25)24-18-10-8-15(19(22)23-18)16-11-14(26-2)7-9-17(16)21;1-13-5-3-7-15(11-13)20(24)23-18-10-9-17(19(21)22-18)14-6-4-8-16(12-14)25-2/h2*4-12H,1-3H3,(H3,22,23,24,25);2-10H,1H3,(H2,23,26)(H3,22,24,25,27);2-10H,1H3,(H3,23,24,25,26);2*3-11H,1-2H3,(H3,22,23,24,25);3-12H,1-2H3,(H3,21,22,23,24)
InChIKeyLGHPZAZAPBRNEA-UHFFFAOYSA-N
MW2523.10 g/mol
LogP28.37
Rot. Bonds29

About N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide

N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide (PubChem CID 159342507) has the molecular formula C142H129Cl3FN23O15 and a molecular weight of 2523.10 g/mol. Its IUPAC name is N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide
PubChem CID159342507
Molecular FormulaC142H129Cl3FN23O15
Molecular Weight2523.10 g/mol
Exact Mass2519.91
IUPAC NameN-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3cccc(C)c3)nc2N)cc1OC.COc1ccc(Cl)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccc(F)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccc(OC)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1cccc(-c2ccc(NC(=O)c3cccc(C)c3)nc2N)c1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C#N)ccc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(N)=O)ccc3Cl)c(N)n2)cc1
InChIInChI=1S/2C21H21N3O3.C20H17ClN4O2.C20H15ClN4O.C20H18ClN3O2.C20H18FN3O2.C20H19N3O2/c1-13-4-6-14(7-5-13)21(25)24-19-11-9-16(20(22)23-19)17-12-15(26-2)8-10-18(17)27-3;1-13-5-4-6-15(11-13)21(25)24-19-10-8-16(20(22)23-19)14-7-9-17(26-2)18(12-14)27-3;1-11-2-4-12(5-3-11)20(27)25-17-9-7-14(18(22)24-17)15-10-13(19(23)26)6-8-16(15)21;1-12-2-5-14(6-3-12)20(26)25-18-9-7-15(19(23)24-18)16-10-13(11-22)4-8-17(16)21;2*1-12-3-5-13(6-4-12)20(25)24-18-10-8-15(19(22)23-18)16-11-14(26-2)7-9-17(16)21;1-13-5-3-7-15(11-13)20(24)23-18-10-9-17(19(21)22-18)14-6-4-8-16(12-14)25-2/h2*4-12H,1-3H3,(H3,22,23,24,25);2-10H,1H3,(H2,23,26)(H3,22,24,25,27);2-10H,1H3,(H3,23,24,25,26);2*3-11H,1-2H3,(H3,22,23,24,25);3-12H,1-2H3,(H3,21,22,23,24)
InChIKeyLGHPZAZAPBRNEA-UHFFFAOYSA-N
XLogP28.37
TPSA607.56 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms184
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002523.10
LogP ≤ 528.37
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Analyze N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide?
The IUPAC name of N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide (CID 159342507) is N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide.
What is the SMILES notation for N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide?
The canonical SMILES for N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide is COc1ccc(-c2ccc(NC(=O)c3cccc(C)c3)nc2N)cc1OC.COc1ccc(Cl)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccc(F)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1ccc(OC)c(-c2ccc(NC(=O)c3ccc(C)cc3)nc2N)c1.COc1cccc(-c2ccc(NC(=O)c3cccc(C)c3)nc2N)c1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C#N)ccc3Cl)c(N)n2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3cc(C(N)=O)ccc3Cl)c(N)n2)cc1.
What is the InChIKey of N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide?
The InChIKey is LGHPZAZAPBRNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H21N3O3.C20H17ClN4O2.C20H15ClN4O.C20H18ClN3O2.C20H18FN3O2.C20H19N3O2/c1-13-4-6-14(7-5-13)21(25)24-19-11-9-16(20(22)23-19)17-12-15(26-2)8-10-18(17)27-3;1-13-5-4-6-15(11-13)21(25)24-19-10-8-16(20(22)23-19)14-7-9-17(26-2)18(12-14)27-3;1-11-2-4-12(5-3-11)20(27)25-17-9-7-14(18(22)24-17)15-10-13(19(23)26)6-8-16(15)21;1-12-2-5-14(6-3-12)20(26)25-18-9-7-15(19(23)24-18)16-10-13(11-22)4-8-17(16)21;2*1-12-3-5-13(6-4-12)20(25)24-18-10-8-15(19(22)23-18)16-11-14(26-2)7-9-17(16)21;1-13-5-3-7-15(11-13)20(24)23-18-10-9-17(19(21)22-18)14-6-4-8-16(12-14)25-2/h2*4-12H,1-3H3,(H3,22,23,24,25);2-10H,1H3,(H2,23,26)(H3,22,24,25,27);2-10H,1H3,(H3,23,24,25,26);2*3-11H,1-2H3,(H3,22,23,24,25);3-12H,1-2H3,(H3,21,22,23,24).
What are the key properties of N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide?
N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide has a molecular weight of 2523.10 g/mol, XLogP of 28.37, 29 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-(2-chloro-5-cyanophenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2-chloro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,5-dimethoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3,4-dimethoxyphenyl)-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2-fluoro-5-methoxyphenyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(3-methoxyphenyl)-2-pyridinyl]-3-methylbenzamide;3-[2-amino-6-[(4-methylbenzoyl)amino]-3-pyridinyl]-4-chlorobenzamide is sourced from PubChem (CID 159342507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).