2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide

C85H76Cl5N13O10S — CID 160676721

IUPAC2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1O.Cc1nc(NCC(C)C)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCOCC2)nc1
InChIInChI=1S/C22H19ClN4O3.C22H23ClN4O.C21H17Cl2N3O2.C20H17ClN2O4S/c23-18-6-5-16(13-17(18)19-3-1-2-8-24-19)26-21(28)15-4-7-20(25-14-15)22(29)27-9-11-30-12-10-27;1-14(2)13-25-21-10-8-17(15(3)26-21)22(28)27-16-7-9-19(23)18(12-16)20-6-4-5-11-24-20;1-26(2)21(28)13-6-8-15(18(23)11-13)20(27)25-14-7-9-17(22)16(12-14)19-5-3-4-10-24-19;1-28(26,27)12-14-6-5-13(10-19(14)24)20(25)23-15-7-8-17(21)16(11-15)18-4-2-3-9-22-18/h1-8,13-14H,9-12H2,(H,26,28);4-12,14H,13H2,1-3H3,(H,25,26)(H,27,28);3-12H,1-2H3,(H,25,27);2-11,24H,12H2,1H3,(H,23,25)
InChIKeyRNPYGEWIZNCVNN-UHFFFAOYSA-N
MW1648.96 g/mol
LogP17.86
Rot. Bonds19

About 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide

2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide (PubChem CID 160676721) has the molecular formula C85H76Cl5N13O10S and a molecular weight of 1648.96 g/mol. Its IUPAC name is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide
PubChem CID160676721
Molecular FormulaC85H76Cl5N13O10S
Molecular Weight1648.96 g/mol
Exact Mass1645.40
IUPAC Name2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1O.Cc1nc(NCC(C)C)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCOCC2)nc1
InChIInChI=1S/C22H19ClN4O3.C22H23ClN4O.C21H17Cl2N3O2.C20H17ClN2O4S/c23-18-6-5-16(13-17(18)19-3-1-2-8-24-19)26-21(28)15-4-7-20(25-14-15)22(29)27-9-11-30-12-10-27;1-14(2)13-25-21-10-8-17(15(3)26-21)22(28)27-16-7-9-19(23)18(12-16)20-6-4-5-11-24-20;1-26(2)21(28)13-6-8-15(18(23)11-13)20(27)25-14-7-9-17(22)16(12-14)19-5-3-4-10-24-19;1-28(26,27)12-14-6-5-13(10-19(14)24)20(25)23-15-7-8-17(21)16(11-15)18-4-2-3-9-22-18/h1-8,13-14H,9-12H2,(H,26,28);4-12,14H,13H2,1-3H3,(H,25,26)(H,27,28);3-12H,1-2H3,(H,25,27);2-11,24H,12H2,1H3,(H,23,25)
InChIKeyRNPYGEWIZNCVNN-UHFFFAOYSA-N
XLogP17.86
TPSA309.99 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001648.96
LogP ≤ 517.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide (CID 160676721) is 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide is CN(C)C(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1O.Cc1nc(NCC(C)C)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.O=C(Nc1ccc(Cl)c(-c2ccccn2)c1)c1ccc(C(=O)N2CCOCC2)nc1.
What is the InChIKey of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide?
The InChIKey is RNPYGEWIZNCVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3.C22H23ClN4O.C21H17Cl2N3O2.C20H17ClN2O4S/c23-18-6-5-16(13-17(18)19-3-1-2-8-24-19)26-21(28)15-4-7-20(25-14-15)22(29)27-9-11-30-12-10-27;1-14(2)13-25-21-10-8-17(15(3)26-21)22(28)27-16-7-9-19(23)18(12-16)20-6-4-5-11-24-20;1-26(2)21(28)13-6-8-15(18(23)11-13)20(27)25-14-7-9-17(22)16(12-14)19-5-3-4-10-24-19;1-28(26,27)12-14-6-5-13(10-19(14)24)20(25)23-15-7-8-17(21)16(11-15)18-4-2-3-9-22-18/h1-8,13-14H,9-12H2,(H,26,28);4-12,14H,13H2,1-3H3,(H,25,26)(H,27,28);3-12H,1-2H3,(H,25,27);2-11,24H,12H2,1H3,(H,23,25).
What are the key properties of 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide?
2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide has a molecular weight of 1648.96 g/mol, XLogP of 17.86, 19 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-3-hydroxy-4-(methylsulfonylmethyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-6-(2-methylpropylamino)pyridine-3-carboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-(morpholine-4-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 160676721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).