N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;chloride

C104H120ClN25O18S4 — CID 157355886

About N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;chloride

N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;chloride (PubChem CID 157355886) has the molecular formula C104H120ClN25O18S4 and a molecular weight of 2171.98 g/mol. Its IUPAC name is N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;chloride.

Molecular Properties

• Compound Name: N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;chloride
• PubChem CID: 157355886
• Molecular Formula: C104H120ClN25O18S4
• Molecular Weight: 2171.98 g/mol
• Exact Mass: 2169.78
• IUPAC Name: N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;chloride
• SMILES: CC(C)(COc1cccc2c1C(N)=NCC2)NC(=O)c1ccnc(-[n+]2cc[nH]c2N)c1.CN(C)c1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CC2)ccn1.CN(C)c1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CCCCC2)ccn1.Cc1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CC2)ccn1.Cc1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CCC2)ccn1.[Cl-]
• InChI: InChI=1S/C23H29N5O4S.C22H25N7O2.C20H23N5O4S.C20H22N4O4S.C19H20N4O4S.ClH/c1-28(2)19-13-16(9-12-25-19)22(29)26-23(10-4-3-5-11-23)15-32-18-8-6-7-17-14-33(30,31)27-21(24)20(17)18;1-22(2,13-31-16-5-3-4-14-6-9-26-19(23)18(14)16)28-20(30)15-7-8-25-17(12-15)29-11-10-27-21(29)24;1-25(2)16-10-13(6-9-22-16)19(26)23-20(7-8-20)12-29-15-5-3-4-14-11-30(27,28)24-18(21)17(14)15;1-13-10-14(6-9-22-13)19(25)23-20(7-3-8-20)12-28-16-5-2-4-15-11-29(26,27)24-18(21)17(15)16;1-12-9-13(5-8-21-12)18(24)22-19(6-7-19)11-27-15-4-2-3-14-10-28(25,26)23-17(20)16(14)15;/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H2,24,27)(H,26,29);3-5,7-8,10-12H,6,9,13H2,1-2H3,(H5,23,24,26,27,28,30);3-6,9-10H,7-8,11-12H2,1-2H3,(H2,21,24)(H,23,26);2,4-6,9-10H,3,7-8,11-12H2,1H3,(H2,21,24)(H,23,25);2-5,8-9H,6-7,10-11H2,1H3,(H2,20,23)(H,22,24);1H
• InChIKey: KZJXKUVJIAWROV-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 636.73 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2171.98
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;chloride?

The IUPAC name of N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;chloride (CID 157355886) is N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;chloride.

What is the SMILES notation for N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;chloride?

The canonical SMILES for N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;chloride is CC(C)(COc1cccc2c1C(N)=NCC2)NC(=O)c1ccnc(-[n+]2cc[nH]c2N)c1.CN(C)c1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CC2)ccn1.CN(C)c1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CCCCC2)ccn1.Cc1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CC2)ccn1.Cc1cc(C(=O)NC2(COc3cccc4c3C(N)=NS(=O)(=O)C4)CCC2)ccn1.[Cl-].

What is the InChIKey of N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;chloride?

The InChIKey is KZJXKUVJIAWROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S.C22H25N7O2.C20H23N5O4S.C20H22N4O4S.C19H20N4O4S.ClH/c1-28(2)19-13-16(9-12-25-19)22(29)26-23(10-4-3-5-11-23)15-32-18-8-6-7-17-14-33(30,31)27-21(24)20(17)18;1-22(2,13-31-16-5-3-4-14-6-9-26-19(23)18(14)16)28-20(30)15-7-8-25-17(12-15)29-11-10-27-21(29)24;1-25(2)16-10-13(6-9-22-16)19(26)23-20(7-8-20)12-29-15-5-3-4-14-11-30(27,28)24-18(21)17(14)15;1-13-10-14(6-9-22-13)19(25)23-20(7-3-8-20)12-28-16-5-2-4-15-11-29(26,27)24-18(21)17(15)16;1-12-9-13(5-8-21-12)18(24)22-19(6-7-19)11-27-15-4-2-3-14-10-28(25,26)23-17(20)16(14)15;/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H2,24,27)(H,26,29);3-5,7-8,10-12H,6,9,13H2,1-2H3,(H5,23,24,26,27,28,30);3-6,9-10H,7-8,11-12H2,1-2H3,(H2,21,24)(H,23,26);2,4-6,9-10H,3,7-8,11-12H2,1H3,(H2,21,24)(H,23,25);2-5,8-9H,6-7,10-11H2,1H3,(H2,20,23)(H,22,24);1H.

What are the key properties of N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;chloride?

N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;chloride has a molecular weight of 2171.98 g/mol, XLogP of 4.32, 28 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(1-amino-3,4-dihydroisoquinolin-8-yl)oxy]-2-methylpropan-2-yl]-2-(2-amino-1H-imidazol-3-ium-3-yl)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclobutyl]-2-methylpyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclohexyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-(dimethylamino)pyridine-4-carboxamide;N-[1-[(4-amino-2,2-dioxo-1H-2λ6,3-benzothiazin-5-yl)oxymethyl]cyclopropyl]-2-methylpyridine-4-carboxamide;chloride is sourced from PubChem (CID 157355886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).