6-[2-[(2-aminoethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(methylamino)ethylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

C114H135N19O20 — CID 158546952

About 6-[2-[(2-aminoethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(methylamino)ethylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

6-[2-[(2-aminoethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(methylamino)ethylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 158546952) has the molecular formula C114H135N19O20 and a molecular weight of 2091.45 g/mol. Its IUPAC name is 6-[2-[(2-aminoethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(methylamino)ethylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[2-[(2-aminoethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(methylamino)ethylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 158546952
• Molecular Formula: C114H135N19O20
• Molecular Weight: 2091.45 g/mol
• Exact Mass: 2090.01
• IUPAC Name: 6-[2-[(2-aminoethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(methylamino)ethylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
• SMILES: CCc1c(-c2ccc3c(c2)cc(CN2CC(N(C)Cc4ccccc4)C2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CN2CCCC2CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CNC)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CNCCN)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CNCCNC)n3C)[nH]c(=O)c(C(=O)O)c1O
• InChI: InChI=1S/C29H32N4O4.C25H32N4O4.C21H26N4O4.C20H24N4O4.C19H21N3O4/c1-4-23-26(30-28(35)25(27(23)34)29(36)37)19-10-11-24-20(12-19)13-21(32(24)3)15-33-16-22(17-33)31(2)14-18-8-6-5-7-9-18;1-5-19-22(26-24(31)21(23(19)30)25(32)33)15-8-9-20-16(11-15)12-18(28(20)4)14-29-10-6-7-17(29)13-27(2)3;1-4-15-18(24-20(27)17(19(15)26)21(28)29)12-5-6-16-13(9-12)10-14(25(16)3)11-23-8-7-22-2;1-3-14-17(23-19(26)16(18(14)25)20(27)28)11-4-5-15-12(8-11)9-13(24(15)2)10-22-7-6-21;1-4-13-16(21-18(24)15(17(13)23)19(25)26)10-5-6-14-11(7-10)8-12(9-20-2)22(14)3/h5-13,22H,4,14-17H2,1-3H3,(H,36,37)(H2,30,34,35);8-9,11-12,17H,5-7,10,13-14H2,1-4H3,(H,32,33)(H2,26,30,31);5-6,9-10,22-23H,4,7-8,11H2,1-3H3,(H,28,29)(H2,24,26,27);4-5,8-9,22H,3,6-7,10,21H2,1-2H3,(H,27,28)(H2,23,25,26);5-8,20H,4,9H2,1-3H3,(H,25,26)(H2,21,23,24)
• InChIKey: HPFUFWIIENSQHU-UHFFFAOYSA-N
• XLogP: 12.42
• TPSA: 563.70 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 29
• Rotatable Bonds: 35
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2091.45
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-aminoethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(methylamino)ethylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

The IUPAC name of 6-[2-[(2-aminoethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(methylamino)ethylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 158546952) is 6-[2-[(2-aminoethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(methylamino)ethylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[2-[(2-aminoethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(methylamino)ethylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 6-[2-[(2-aminoethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(methylamino)ethylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)cc(CN2CC(N(C)Cc4ccccc4)C2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CN2CCCC2CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CNC)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CNCCN)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CNCCNC)n3C)[nH]c(=O)c(C(=O)O)c1O.

What is the InChIKey of 6-[2-[(2-aminoethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(methylamino)ethylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

The InChIKey is HPFUFWIIENSQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4.C25H32N4O4.C21H26N4O4.C20H24N4O4.C19H21N3O4/c1-4-23-26(30-28(35)25(27(23)34)29(36)37)19-10-11-24-20(12-19)13-21(32(24)3)15-33-16-22(17-33)31(2)14-18-8-6-5-7-9-18;1-5-19-22(26-24(31)21(23(19)30)25(32)33)15-8-9-20-16(11-15)12-18(28(20)4)14-29-10-6-7-17(29)13-27(2)3;1-4-15-18(24-20(27)17(19(15)26)21(28)29)12-5-6-16-13(9-12)10-14(25(16)3)11-23-8-7-22-2;1-3-14-17(23-19(26)16(18(14)25)20(27)28)11-4-5-15-12(8-11)9-13(24(15)2)10-22-7-6-21;1-4-13-16(21-18(24)15(17(13)23)19(25)26)10-5-6-14-11(7-10)8-12(9-20-2)22(14)3/h5-13,22H,4,14-17H2,1-3H3,(H,36,37)(H2,30,34,35);8-9,11-12,17H,5-7,10,13-14H2,1-4H3,(H,32,33)(H2,26,30,31);5-6,9-10,22-23H,4,7-8,11H2,1-3H3,(H,28,29)(H2,24,26,27);4-5,8-9,22H,3,6-7,10,21H2,1-2H3,(H,27,28)(H2,23,25,26);5-8,20H,4,9H2,1-3H3,(H,25,26)(H2,21,23,24).

What are the key properties of 6-[2-[(2-aminoethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(methylamino)ethylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

6-[2-[(2-aminoethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(methylamino)ethylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 2091.45 g/mol, XLogP of 12.42, 35 rotatable bonds, 20 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(2-aminoethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[2-(methylamino)ethylamino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-(methylaminomethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 158546952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).