N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;methyl 4-aminobenzoate;methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate;4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoic acid;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid

C86H84N14O16 — CID 160645433

About N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;methyl 4-aminobenzoate;methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate;4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoic acid;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid

N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;methyl 4-aminobenzoate;methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate;4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoic acid;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid (PubChem CID 160645433) has the molecular formula C86H84N14O16 and a molecular weight of 1569.70 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;methyl 4-aminobenzoate;methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate;4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoic acid;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid.

Molecular Properties

• Compound Name: N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;methyl 4-aminobenzoate;methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate;4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoic acid;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid
• PubChem CID: 160645433
• Molecular Formula: C86H84N14O16
• Molecular Weight: 1569.70 g/mol
• Exact Mass: 1568.62
• IUPAC Name: N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;methyl 4-aminobenzoate;methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate;4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoic acid;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid
• SMILES: CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C(=O)NCCN(C)C)cc4)cc3c21.CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc3c21.CC1CNC(=O)c2[nH]c3ccc(C(=O)O)cc3c21.COC(=O)c1ccc(N)cc1.COC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C(C)CNC4=O)cc1
• InChI: InChI=1S/C24H27N5O3.C21H19N3O4.C20H17N3O4.C13H12N2O3.C8H9NO2/c1-14-13-26-24(32)21-20(14)18-12-16(6-9-19(18)28-21)23(31)27-17-7-4-15(5-8-17)22(30)25-10-11-29(2)3;1-11-10-22-20(26)18-17(11)15-9-13(5-8-16(15)24-18)19(25)23-14-6-3-12(4-7-14)21(27)28-2;1-10-9-21-19(25)17-16(10)14-8-12(4-7-15(14)23-17)18(24)22-13-5-2-11(3-6-13)20(26)27;1-6-5-14-12(16)11-10(6)8-4-7(13(17)18)2-3-9(8)15-11;1-11-8(10)6-2-4-7(9)5-3-6/h4-9,12,14,28H,10-11,13H2,1-3H3,(H,25,30)(H,26,32)(H,27,31);3-9,11,24H,10H2,1-2H3,(H,22,26)(H,23,25);2-8,10,23H,9H2,1H3,(H,21,25)(H,22,24)(H,26,27);2-4,6,15H,5H2,1H3,(H,14,16)(H,17,18);2-5H,9H2,1H3
• InChIKey: RJSMEYOCNRFPFR-UHFFFAOYSA-N
• XLogP: 11.35
• TPSA: 452.42 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1569.70
LogP ≤ 5	11.35
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;methyl 4-aminobenzoate;methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate;4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoic acid;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid?

The IUPAC name of N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;methyl 4-aminobenzoate;methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate;4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoic acid;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid (CID 160645433) is N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;methyl 4-aminobenzoate;methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate;4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoic acid;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid.

What is the SMILES notation for N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;methyl 4-aminobenzoate;methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate;4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoic acid;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid?

The canonical SMILES for N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;methyl 4-aminobenzoate;methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate;4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoic acid;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid is CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C(=O)NCCN(C)C)cc4)cc3c21.CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C(=O)O)cc4)cc3c21.CC1CNC(=O)c2[nH]c3ccc(C(=O)O)cc3c21.COC(=O)c1ccc(N)cc1.COC(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C(C)CNC4=O)cc1.

What is the InChIKey of N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;methyl 4-aminobenzoate;methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate;4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoic acid;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid?

The InChIKey is RJSMEYOCNRFPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3.C21H19N3O4.C20H17N3O4.C13H12N2O3.C8H9NO2/c1-14-13-26-24(32)21-20(14)18-12-16(6-9-19(18)28-21)23(31)27-17-7-4-15(5-8-17)22(30)25-10-11-29(2)3;1-11-10-22-20(26)18-17(11)15-9-13(5-8-16(15)24-18)19(25)23-14-6-3-12(4-7-14)21(27)28-2;1-10-9-21-19(25)17-16(10)14-8-12(4-7-15(14)23-17)18(24)22-13-5-2-11(3-6-13)20(26)27;1-6-5-14-12(16)11-10(6)8-4-7(13(17)18)2-3-9(8)15-11;1-11-8(10)6-2-4-7(9)5-3-6/h4-9,12,14,28H,10-11,13H2,1-3H3,(H,25,30)(H,26,32)(H,27,31);3-9,11,24H,10H2,1-2H3,(H,22,26)(H,23,25);2-8,10,23H,9H2,1H3,(H,21,25)(H,22,24)(H,26,27);2-4,6,15H,5H2,1H3,(H,14,16)(H,17,18);2-5H,9H2,1H3.

What are the key properties of N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;methyl 4-aminobenzoate;methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate;4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoic acid;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid?

N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;methyl 4-aminobenzoate;methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate;4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoic acid;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid has a molecular weight of 1569.70 g/mol, XLogP of 11.35, 14 rotatable bonds, 15 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide;methyl 4-aminobenzoate;methyl 4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate;4-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoic acid;4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxylic acid is sourced from PubChem (CID 160645433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).