5-(2-acetamido-4-pyridinyl)-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-amino-N-(diaminomethylidene)-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;N-[4-[6-chloro-5-(cyclobutylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;4-[[4-[5-(dimethylsulfamoylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]methyl]pyrimidine;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide

C88H94Cl2N28O10S3 — CID 159441268

About 5-(2-acetamido-4-pyridinyl)-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-amino-N-(diaminomethylidene)-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;N-[4-[6-chloro-5-(cyclobutylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;4-[[4-[5-(dimethylsulfamoylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]methyl]pyrimidine;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide

5-(2-acetamido-4-pyridinyl)-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-amino-N-(diaminomethylidene)-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;N-[4-[6-chloro-5-(cyclobutylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;4-[[4-[5-(dimethylsulfamoylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]methyl]pyrimidine;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 159441268) has the molecular formula C88H94Cl2N28O10S3 and a molecular weight of 1871.01 g/mol. Its IUPAC name is 5-(2-acetamido-4-pyridinyl)-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-amino-N-(diaminomethylidene)-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;N-[4-[6-chloro-5-(cyclobutylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;4-[[4-[5-(dimethylsulfamoylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]methyl]pyrimidine;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 5-(2-acetamido-4-pyridinyl)-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-amino-N-(diaminomethylidene)-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;N-[4-[6-chloro-5-(cyclobutylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;4-[[4-[5-(dimethylsulfamoylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]methyl]pyrimidine;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide
• PubChem CID: 159441268
• Molecular Formula: C88H94Cl2N28O10S3
• Molecular Weight: 1871.01 g/mol
• Exact Mass: 1868.62
• IUPAC Name: 5-(2-acetamido-4-pyridinyl)-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-amino-N-(diaminomethylidene)-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;N-[4-[6-chloro-5-(cyclobutylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;4-[[4-[5-(dimethylsulfamoylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]methyl]pyrimidine;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)N3CCCCC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(Cl)c(C(=O)N(C)C)c2)ccn1.Cc1ncc(-c2ccnc(Cc3ccncn3)c2)cc1NS(=O)(=O)N(C)C.Cc1nccc(Nc2cc(-c3cnc(Cl)c(S(=O)(=O)CC4CCC4)c3)ccn2)n1.NC(N)=NC(=O)c1cc(-c2ccnc(Nc3ccncn3)c2)cnc1N
• InChI: InChI=1S/C20H20ClN5O2S.C19H24N4O3S.C18H20N6O2S.C16H15N9O.C15H15ClN4O2/c1-13-22-8-6-18(25-13)26-19-10-15(5-7-23-19)16-9-17(20(21)24-11-16)29(27,28)12-14-3-2-4-14;1-14-18(13-27(25,26)23-8-4-3-5-9-23)10-17(12-21-14)16-6-7-20-19(11-16)22-15(2)24;1-13-18(23-27(25,26)24(2)3)9-15(11-21-13)14-4-7-20-17(8-14)10-16-5-6-19-12-22-16;17-14-11(15(26)25-16(18)19)5-10(7-22-14)9-1-4-21-13(6-9)24-12-2-3-20-8-23-12;1-9(21)19-13-7-10(4-5-17-13)11-6-12(14(16)18-8-11)15(22)20(2)3/h5-11,14H,2-4,12H2,1H3,(H,22,23,25,26);6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,20,22,24);4-9,11-12,23H,10H2,1-3H3;1-8H,(H2,17,22)(H4,18,19,25,26)(H,20,21,23,24);4-8H,1-3H3,(H,17,19,21)
• InChIKey: LSEZFCSUNJVJKK-UHFFFAOYSA-N
• XLogP: 12.12
• TPSA: 537.23 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1871.01
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-4-pyridinyl)-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-amino-N-(diaminomethylidene)-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;N-[4-[6-chloro-5-(cyclobutylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;4-[[4-[5-(dimethylsulfamoylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]methyl]pyrimidine;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide?

The IUPAC name of 5-(2-acetamido-4-pyridinyl)-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-amino-N-(diaminomethylidene)-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;N-[4-[6-chloro-5-(cyclobutylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;4-[[4-[5-(dimethylsulfamoylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]methyl]pyrimidine;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide (CID 159441268) is 5-(2-acetamido-4-pyridinyl)-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-amino-N-(diaminomethylidene)-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;N-[4-[6-chloro-5-(cyclobutylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;4-[[4-[5-(dimethylsulfamoylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]methyl]pyrimidine;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide.

What is the SMILES notation for 5-(2-acetamido-4-pyridinyl)-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-amino-N-(diaminomethylidene)-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;N-[4-[6-chloro-5-(cyclobutylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;4-[[4-[5-(dimethylsulfamoylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]methyl]pyrimidine;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide?

The canonical SMILES for 5-(2-acetamido-4-pyridinyl)-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-amino-N-(diaminomethylidene)-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;N-[4-[6-chloro-5-(cyclobutylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;4-[[4-[5-(dimethylsulfamoylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]methyl]pyrimidine;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)N3CCCCC3)c2)ccn1.CC(=O)Nc1cc(-c2cnc(Cl)c(C(=O)N(C)C)c2)ccn1.Cc1ncc(-c2ccnc(Cc3ccncn3)c2)cc1NS(=O)(=O)N(C)C.Cc1nccc(Nc2cc(-c3cnc(Cl)c(S(=O)(=O)CC4CCC4)c3)ccn2)n1.NC(N)=NC(=O)c1cc(-c2ccnc(Nc3ccncn3)c2)cnc1N.

What is the InChIKey of 5-(2-acetamido-4-pyridinyl)-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-amino-N-(diaminomethylidene)-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;N-[4-[6-chloro-5-(cyclobutylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;4-[[4-[5-(dimethylsulfamoylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]methyl]pyrimidine;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide?

The InChIKey is LSEZFCSUNJVJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2S.C19H24N4O3S.C18H20N6O2S.C16H15N9O.C15H15ClN4O2/c1-13-22-8-6-18(25-13)26-19-10-15(5-7-23-19)16-9-17(20(21)24-11-16)29(27,28)12-14-3-2-4-14;1-14-18(13-27(25,26)23-8-4-3-5-9-23)10-17(12-21-14)16-6-7-20-19(11-16)22-15(2)24;1-13-18(23-27(25,26)24(2)3)9-15(11-21-13)14-4-7-20-17(8-14)10-16-5-6-19-12-22-16;17-14-11(15(26)25-16(18)19)5-10(7-22-14)9-1-4-21-13(6-9)24-12-2-3-20-8-23-12;1-9(21)19-13-7-10(4-5-17-13)11-6-12(14(16)18-8-11)15(22)20(2)3/h5-11,14H,2-4,12H2,1H3,(H,22,23,25,26);6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,20,22,24);4-9,11-12,23H,10H2,1-3H3;1-8H,(H2,17,22)(H4,18,19,25,26)(H,20,21,23,24);4-8H,1-3H3,(H,17,19,21).

What are the key properties of 5-(2-acetamido-4-pyridinyl)-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-amino-N-(diaminomethylidene)-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;N-[4-[6-chloro-5-(cyclobutylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;4-[[4-[5-(dimethylsulfamoylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]methyl]pyrimidine;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide?

5-(2-acetamido-4-pyridinyl)-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-amino-N-(diaminomethylidene)-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;N-[4-[6-chloro-5-(cyclobutylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;4-[[4-[5-(dimethylsulfamoylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]methyl]pyrimidine;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 1871.01 g/mol, XLogP of 12.12, 24 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamido-4-pyridinyl)-2-chloro-N,N-dimethylpyridine-3-carboxamide;2-amino-N-(diaminomethylidene)-5-[2-(pyrimidin-4-ylamino)-4-pyridinyl]pyridine-3-carboxamide;N-[4-[6-chloro-5-(cyclobutylmethylsulfonyl)-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine;4-[[4-[5-(dimethylsulfamoylamino)-6-methyl-3-pyridinyl]-2-pyridinyl]methyl]pyrimidine;N-[4-[6-methyl-5-(piperidin-1-ylsulfonylmethyl)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 159441268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).