5-(2-acetamido-4-pyridinyl)-2-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C89H86ClF6N23O12S3 — CID 158867818

About 5-(2-acetamido-4-pyridinyl)-2-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

5-(2-acetamido-4-pyridinyl)-2-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 158867818) has the molecular formula C89H86ClF6N23O12S3 and a molecular weight of 1915.46 g/mol. Its IUPAC name is 5-(2-acetamido-4-pyridinyl)-2-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 5-(2-acetamido-4-pyridinyl)-2-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
• PubChem CID: 158867818
• Molecular Formula: C89H86ClF6N23O12S3
• Molecular Weight: 1915.46 g/mol
• Exact Mass: 1913.56
• IUPAC Name: 5-(2-acetamido-4-pyridinyl)-2-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Cc1cc(-c2cnc(Cl)c(S(=O)(=O)NC(C)(C)C)c2C)ccn1.CC(=O)Nc1cc(-c2cnc(C#N)c(CS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)CC(F)F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)N=C(N)N)c2)ccn1.O=C(c1cncc(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)c1)N1CC(F)(F)C1
• InChI: InChI=1S/C21H18F2N6O.C20H14F2N4O3S.C18H22ClN3O3S.C16H17F2N3O3S.C14H15N7O2/c22-21(23)11-29(12-21)20(30)16-7-15(9-24-10-16)14-3-5-25-18(8-14)27-17-4-6-26-19(28-17)13-1-2-13;1-12(27)26-20-7-13(4-5-24-20)14-6-15(18(9-23)25-10-14)11-30(28,29)19-3-2-16(21)8-17(19)22;1-11(23)8-14-9-13(6-7-20-14)15-10-21-17(19)16(12(15)2)26(24,25)22-18(3,4)5;1-10-14(8-25(23,24)9-15(17)18)5-13(7-20-10)12-3-4-19-16(6-12)21-11(2)22;1-7(22)20-11-5-8(2-3-18-11)9-4-10(12(15)19-6-9)13(23)21-14(16)17/h3-10,13H,1-2,11-12H2,(H,25,26,27,28);2-8,10H,11H2,1H3,(H,24,26,27);6-7,9-10,22H,8H2,1-5H3;3-7,15H,8-9H2,1-2H3,(H,19,21,22);2-6H,1H3,(H2,15,19)(H,18,20,22)(H4,16,17,21,23)
• InChIKey: JBLSQSSRSDRLJC-UHFFFAOYSA-N
• XLogP: 12.87
• TPSA: 537.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1915.46
LogP ≤ 5	12.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

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-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?

The IUPAC name of 5-(2-acetamido-4-pyridinyl)-2-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 158867818) is 5-(2-acetamido-4-pyridinyl)-2-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

What is the SMILES notation for 5-(2-acetamido-4-pyridinyl)-2-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?

The canonical SMILES for 5-(2-acetamido-4-pyridinyl)-2-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Cc1cc(-c2cnc(Cl)c(S(=O)(=O)NC(C)(C)C)c2C)ccn1.CC(=O)Nc1cc(-c2cnc(C#N)c(CS(=O)(=O)c3ccc(F)cc3F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(C)c(CS(=O)(=O)CC(F)F)c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)N=C(N)N)c2)ccn1.O=C(c1cncc(-c2ccnc(Nc3ccnc(C4CC4)n3)c2)c1)N1CC(F)(F)C1.

What is the InChIKey of 5-(2-acetamido-4-pyridinyl)-2-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?

The InChIKey is JBLSQSSRSDRLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O.C20H14F2N4O3S.C18H22ClN3O3S.C16H17F2N3O3S.C14H15N7O2/c22-21(23)11-29(12-21)20(30)16-7-15(9-24-10-16)14-3-5-25-18(8-14)27-17-4-6-26-19(28-17)13-1-2-13;1-12(27)26-20-7-13(4-5-24-20)14-6-15(18(9-23)25-10-14)11-30(28,29)19-3-2-16(21)8-17(19)22;1-11(23)8-14-9-13(6-7-20-14)15-10-21-17(19)16(12(15)2)26(24,25)22-18(3,4)5;1-10-14(8-25(23,24)9-15(17)18)5-13(7-20-10)12-3-4-19-16(6-12)21-11(2)22;1-7(22)20-11-5-8(2-3-18-11)9-4-10(12(15)19-6-9)13(23)21-14(16)17/h3-10,13H,1-2,11-12H2,(H,25,26,27,28);2-8,10H,11H2,1H3,(H,24,26,27);6-7,9-10,22H,8H2,1-5H3;3-7,15H,8-9H2,1-2H3,(H,19,21,22);2-6H,1H3,(H2,15,19)(H,18,20,22)(H4,16,17,21,23).

What are the key properties of 5-(2-acetamido-4-pyridinyl)-2-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?

5-(2-acetamido-4-pyridinyl)-2-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 1915.46 g/mol, XLogP of 12.87, 24 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamido-4-pyridinyl)-2-amino-N-(diaminomethylidene)pyridine-3-carboxamide;N-tert-butyl-2-chloro-4-methyl-5-[2-(2-oxopropyl)-4-pyridinyl]pyridine-3-sulfonamide;N-[4-[6-cyano-5-[(2,4-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-pyridinyl]acetamide;[5-[2-[(2-cyclopropylpyrimidin-4-yl)amino]-4-pyridinyl]-3-pyridinyl]-(3,3-difluoroazetidin-1-yl)methanone;N-[4-[5-(2,2-difluoroethylsulfonylmethyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 158867818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).