5-(2-acetamido-4-pyridinyl)-2-amino-N-(1-bicyclo[1.1.1]pentanyl)pyridine-3-carboxamide;N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide

C98H94FN23O15S3 — CID 158101880

About 5-(2-acetamido-4-pyridinyl)-2-amino-N-(1-bicyclo[1.1.1]pentanyl)pyridine-3-carboxamide;N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide

5-(2-acetamido-4-pyridinyl)-2-amino-N-(1-bicyclo[1.1.1]pentanyl)pyridine-3-carboxamide;N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide (PubChem CID 158101880) has the molecular formula C98H94FN23O15S3 and a molecular weight of 1949.17 g/mol. Its IUPAC name is 5-(2-acetamido-4-pyridinyl)-2-amino-N-(1-bicyclo[1.1.1]pentanyl)pyridine-3-carboxamide;N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 5-(2-acetamido-4-pyridinyl)-2-amino-N-(1-bicyclo[1.1.1]pentanyl)pyridine-3-carboxamide;N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
• PubChem CID: 158101880
• Molecular Formula: C98H94FN23O15S3
• Molecular Weight: 1949.17 g/mol
• Exact Mass: 1947.64
• IUPAC Name: 5-(2-acetamido-4-pyridinyl)-2-amino-N-(1-bicyclo[1.1.1]pentanyl)pyridine-3-carboxamide;N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2cc(S(C)(=O)=O)c[n+]([O-])c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)NC34CC(C3)C4)c2)ccn1.CC(=O)Nc1cc(-c2cnc3c(c2)C=NC3)ccn1.CC(=O)Nc1cc(-c2cncc(/C=C/C(=O)c3ccc(F)cc3)c2)ccn1.CC(=O)Nc1cc(-c2cncc(N3CCCS3(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cncc(S(=O)(=O)NC34CC(C3)C4)c2)ccn1
• InChI: InChI=1S/C21H16FN3O2.C18H19N5O2.C17H18N4O3S.C15H16N4O3S.C14H12N4O.C13H13N3O4S/c1-14(26)25-21-11-17(8-9-24-21)18-10-15(12-23-13-18)2-7-20(27)16-3-5-19(22)6-4-16;1-10(24)22-15-5-12(2-3-20-15)13-4-14(16(19)21-9-13)17(25)23-18-6-11(7-18)8-18;1-11(22)20-16-5-13(2-3-19-16)14-4-15(10-18-9-14)25(23,24)21-17-6-12(7-17)8-17;1-11(20)18-15-8-12(3-4-17-15)13-7-14(10-16-9-13)19-5-2-6-23(19,21)22;1-9(19)18-14-5-10(2-3-16-14)11-4-12-6-15-8-13(12)17-7-11;1-9(17)15-13-6-10(3-4-14-13)11-5-12(21(2,19)20)8-16(18)7-11/h2-13H,1H3,(H,24,25,26);2-5,9,11H,6-8H2,1H3,(H2,19,21)(H,23,25)(H,20,22,24);2-5,9-10,12,21H,6-8H2,1H3,(H,19,20,22);3-4,7-10H,2,5-6H2,1H3,(H,17,18,20);2-7H,8H2,1H3,(H,16,18,19);3-8H,1-2H3,(H,14,15,17)/b7-2+
• InChIKey: FPJBAPCUPYPETN-GWPZXPATSA-N
• XLogP: 12.46
• TPSA: 545.57 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1949.17
LogP ≤ 5	12.46
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-4-pyridinyl)-2-amino-N-(1-bicyclo[1.1.1]pentanyl)pyridine-3-carboxamide;N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide?

The IUPAC name of 5-(2-acetamido-4-pyridinyl)-2-amino-N-(1-bicyclo[1.1.1]pentanyl)pyridine-3-carboxamide;N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide (CID 158101880) is 5-(2-acetamido-4-pyridinyl)-2-amino-N-(1-bicyclo[1.1.1]pentanyl)pyridine-3-carboxamide;N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide.

What is the SMILES notation for 5-(2-acetamido-4-pyridinyl)-2-amino-N-(1-bicyclo[1.1.1]pentanyl)pyridine-3-carboxamide;N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide?

The canonical SMILES for 5-(2-acetamido-4-pyridinyl)-2-amino-N-(1-bicyclo[1.1.1]pentanyl)pyridine-3-carboxamide;N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cc(S(C)(=O)=O)c[n+]([O-])c2)ccn1.CC(=O)Nc1cc(-c2cnc(N)c(C(=O)NC34CC(C3)C4)c2)ccn1.CC(=O)Nc1cc(-c2cnc3c(c2)C=NC3)ccn1.CC(=O)Nc1cc(-c2cncc(/C=C/C(=O)c3ccc(F)cc3)c2)ccn1.CC(=O)Nc1cc(-c2cncc(N3CCCS3(=O)=O)c2)ccn1.CC(=O)Nc1cc(-c2cncc(S(=O)(=O)NC34CC(C3)C4)c2)ccn1.

What is the InChIKey of 5-(2-acetamido-4-pyridinyl)-2-amino-N-(1-bicyclo[1.1.1]pentanyl)pyridine-3-carboxamide;N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide?

The InChIKey is FPJBAPCUPYPETN-GWPZXPATSA-N. The full InChI is InChI=1S/C21H16FN3O2.C18H19N5O2.C17H18N4O3S.C15H16N4O3S.C14H12N4O.C13H13N3O4S/c1-14(26)25-21-11-17(8-9-24-21)18-10-15(12-23-13-18)2-7-20(27)16-3-5-19(22)6-4-16;1-10(24)22-15-5-12(2-3-20-15)13-4-14(16(19)21-9-13)17(25)23-18-6-11(7-18)8-18;1-11(22)20-16-5-13(2-3-19-16)14-4-15(10-18-9-14)25(23,24)21-17-6-12(7-17)8-17;1-11(20)18-15-8-12(3-4-17-15)13-7-14(10-16-9-13)19-5-2-6-23(19,21)22;1-9(19)18-14-5-10(2-3-16-14)11-4-12-6-15-8-13(12)17-7-11;1-9(17)15-13-6-10(3-4-14-13)11-5-12(21(2,19)20)8-16(18)7-11/h2-13H,1H3,(H,24,25,26);2-5,9,11H,6-8H2,1H3,(H2,19,21)(H,23,25)(H,20,22,24);2-5,9-10,12,21H,6-8H2,1H3,(H,19,20,22);3-4,7-10H,2,5-6H2,1H3,(H,17,18,20);2-7H,8H2,1H3,(H,16,18,19);3-8H,1-2H3,(H,14,15,17)/b7-2+;;;;;.

What are the key properties of 5-(2-acetamido-4-pyridinyl)-2-amino-N-(1-bicyclo[1.1.1]pentanyl)pyridine-3-carboxamide;N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide?

5-(2-acetamido-4-pyridinyl)-2-amino-N-(1-bicyclo[1.1.1]pentanyl)pyridine-3-carboxamide;N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide has a molecular weight of 1949.17 g/mol, XLogP of 12.46, 22 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-acetamido-4-pyridinyl)-2-amino-N-(1-bicyclo[1.1.1]pentanyl)pyridine-3-carboxamide;N-[4-[5-(1-bicyclo[1.1.1]pentanylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-[5-[(E)-3-(4-fluorophenyl)-3-oxoprop-1-enyl]-3-pyridinyl]-2-pyridinyl]acetamide;N-[4-(5-methylsulfonyl-1-oxidopyridin-1-ium-3-yl)-2-pyridinyl]acetamide;N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 158101880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).