5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide

C101H88Cl5F5N18O14S3 — CID 158153044

IUPAC5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(C(=O)Nc3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(Cl)c(C(=O)N3CCC3)c2)c(C)cn1.COc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl.Cc1cnc(NC(=O)C2CC2)cc1-c1cnc(Cl)c(CS(=O)(=O)c2ccc(F)cc2F)c1C.Cc1ncc(-c2ccnc(NC(=O)C3CC3)c2)cc1CS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C23H20ClF2N3O3S.C22H19ClFN3O3S.C20H16F2N4O2.C19H16Cl2N4O4S.C17H17ClN4O2/c1-12-9-27-21(29-23(30)14-3-4-14)8-16(12)17-10-28-22(24)18(13(17)2)11-33(31,32)20-6-5-15(25)7-19(20)26;1-13-17(12-31(29,30)20-5-4-18(23)10-19(20)24)8-16(11-26-13)15-6-7-25-21(9-15)27-22(28)14-2-3-14;1-11-16(20(28)26-18-4-3-15(21)9-17(18)22)7-14(10-24-11)13-5-6-23-19(8-13)25-12(2)27;1-11(26)24-18-8-12(5-6-22-18)13-7-17(19(29-2)23-10-13)30(27,28)25-16-9-14(20)3-4-15(16)21;1-10-8-19-15(21-11(2)23)7-13(10)12-6-14(16(18)20-9-12)17(24)22-4-3-5-22/h5-10,14H,3-4,11H2,1-2H3,(H,27,29,30);4-11,14H,2-3,12H2,1H3,(H,25,27,28);3-10H,1-2H3,(H,26,28)(H,23,25,27);3-10,25H,1-2H3,(H,22,24,26);6-9H,3-5H2,1-2H3,(H,19,21,23)
InChIKeyFVIUKCDEFILRMO-UHFFFAOYSA-N
MW2146.38 g/mol
LogP20.65
Rot. Bonds25

About 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide

5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 158153044) has the molecular formula C101H88Cl5F5N18O14S3 and a molecular weight of 2146.38 g/mol. Its IUPAC name is 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID158153044
Molecular FormulaC101H88Cl5F5N18O14S3
Molecular Weight2146.38 g/mol
Exact Mass2142.43
IUPAC Name5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(C(=O)Nc3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(Cl)c(C(=O)N3CCC3)c2)c(C)cn1.COc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl.Cc1cnc(NC(=O)C2CC2)cc1-c1cnc(Cl)c(CS(=O)(=O)c2ccc(F)cc2F)c1C.Cc1ncc(-c2ccnc(NC(=O)C3CC3)c2)cc1CS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C23H20ClF2N3O3S.C22H19ClFN3O3S.C20H16F2N4O2.C19H16Cl2N4O4S.C17H17ClN4O2/c1-12-9-27-21(29-23(30)14-3-4-14)8-16(12)17-10-28-22(24)18(13(17)2)11-33(31,32)20-6-5-15(25)7-19(20)26;1-13-17(12-31(29,30)20-5-4-18(23)10-19(20)24)8-16(11-26-13)15-6-7-25-21(9-15)27-22(28)14-2-3-14;1-11-16(20(28)26-18-4-3-15(21)9-17(18)22)7-14(10-24-11)13-5-6-23-19(8-13)25-12(2)27;1-11(26)24-18-8-12(5-6-22-18)13-7-17(19(29-2)23-10-13)30(27,28)25-16-9-14(20)3-4-15(16)21;1-10-8-19-15(21-11(2)23)7-13(10)12-6-14(16(18)20-9-12)17(24)22-4-3-5-22/h5-10,14H,3-4,11H2,1-2H3,(H,27,29,30);4-11,14H,2-3,12H2,1H3,(H,25,27,28);3-10H,1-2H3,(H,26,28)(H,23,25,27);3-10,25H,1-2H3,(H,22,24,26);6-9H,3-5H2,1-2H3,(H,19,21,23)
InChIKeyFVIUKCDEFILRMO-UHFFFAOYSA-N
XLogP20.65
TPSA447.49 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002146.38
LogP ≤ 520.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide (CID 158153044) is 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(C(=O)Nc3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(Cl)c(C(=O)N3CCC3)c2)c(C)cn1.COc1ncc(-c2ccnc(NC(C)=O)c2)cc1S(=O)(=O)Nc1cc(Cl)ccc1Cl.Cc1cnc(NC(=O)C2CC2)cc1-c1cnc(Cl)c(CS(=O)(=O)c2ccc(F)cc2F)c1C.Cc1ncc(-c2ccnc(NC(=O)C3CC3)c2)cc1CS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is FVIUKCDEFILRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF2N3O3S.C22H19ClFN3O3S.C20H16F2N4O2.C19H16Cl2N4O4S.C17H17ClN4O2/c1-12-9-27-21(29-23(30)14-3-4-14)8-16(12)17-10-28-22(24)18(13(17)2)11-33(31,32)20-6-5-15(25)7-19(20)26;1-13-17(12-31(29,30)20-5-4-18(23)10-19(20)24)8-16(11-26-13)15-6-7-25-21(9-15)27-22(28)14-2-3-14;1-11-16(20(28)26-18-4-3-15(21)9-17(18)22)7-14(10-24-11)13-5-6-23-19(8-13)25-12(2)27;1-11(26)24-18-8-12(5-6-22-18)13-7-17(19(29-2)23-10-13)30(27,28)25-16-9-14(20)3-4-15(16)21;1-10-8-19-15(21-11(2)23)7-13(10)12-6-14(16(18)20-9-12)17(24)22-4-3-5-22/h5-10,14H,3-4,11H2,1-2H3,(H,27,29,30);4-11,14H,2-3,12H2,1H3,(H,25,27,28);3-10H,1-2H3,(H,26,28)(H,23,25,27);3-10,25H,1-2H3,(H,22,24,26);6-9H,3-5H2,1-2H3,(H,19,21,23).
What are the key properties of 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide?
5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 2146.38 g/mol, XLogP of 20.65, 25 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-4-pyridinyl)-N-(2,4-difluorophenyl)-2-methylpyridine-3-carboxamide;N-[4-[5-(azetidine-1-carbonyl)-6-chloro-3-pyridinyl]-5-methyl-2-pyridinyl]acetamide;N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-methyl-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(4-chloro-2-fluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[5-[(2,5-dichlorophenyl)sulfamoyl]-6-methoxy-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 158153044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).