N-benzyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclohexylacetamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]cyclohexanecarboxamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-2-methylpropanamide

C84H111ClN12O4 — CID 158701986

About N-benzyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclohexylacetamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]cyclohexanecarboxamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-2-methylpropanamide

N-benzyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclohexylacetamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]cyclohexanecarboxamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-2-methylpropanamide (PubChem CID 158701986) has the molecular formula C84H111ClN12O4 and a molecular weight of 1388.34 g/mol. Its IUPAC name is N-benzyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclohexylacetamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]cyclohexanecarboxamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-benzyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclohexylacetamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]cyclohexanecarboxamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-2-methylpropanamide
• PubChem CID: 158701986
• Molecular Formula: C84H111ClN12O4
• Molecular Weight: 1388.34 g/mol
• Exact Mass: 1386.85
• IUPAC Name: N-benzyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclohexylacetamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]cyclohexanecarboxamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-2-methylpropanamide
• SMILES: CN1CCc2c(c3cc(Cl)ccc3n2CC(=O)NC2CCCCC2)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)NCc2ccccc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCNC(=O)C(C)C)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCNC(=O)C2CCCCC2)CCN(C)C1
• InChI: InChI=1S/C23H27N3O.C22H31N3O.C20H26ClN3O.C19H27N3O/c1-17-8-9-21-19(14-17)20-16-25(2)12-10-22(20)26(21)13-11-23(27)24-15-18-6-4-3-5-7-18;1-16-8-9-20-18(14-16)19-15-24(2)12-10-21(19)25(20)13-11-23-22(26)17-6-4-3-5-7-17;1-23-10-9-19-17(12-23)16-11-14(21)7-8-18(16)24(19)13-20(25)22-15-5-3-2-4-6-15;1-13(2)19(23)20-8-10-22-17-6-5-14(3)11-15(17)16-12-21(4)9-7-18(16)22/h3-9,14H,10-13,15-16H2,1-2H3,(H,24,27);8-9,14,17H,3-7,10-13,15H2,1-2H3,(H,23,26);7-8,11,15H,2-6,9-10,12-13H2,1H3,(H,22,25);5-6,11,13H,7-10,12H2,1-4H3,(H,20,23)
• InChIKey: IHQRJFIWZDHJPD-UHFFFAOYSA-N
• XLogP: 13.72
• TPSA: 149.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1388.34
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclohexylacetamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]cyclohexanecarboxamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-2-methylpropanamide?

The IUPAC name of N-benzyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclohexylacetamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]cyclohexanecarboxamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-2-methylpropanamide (CID 158701986) is N-benzyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclohexylacetamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]cyclohexanecarboxamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-2-methylpropanamide.

What is the SMILES notation for N-benzyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclohexylacetamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]cyclohexanecarboxamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-2-methylpropanamide?

The canonical SMILES for N-benzyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclohexylacetamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]cyclohexanecarboxamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-2-methylpropanamide is CN1CCc2c(c3cc(Cl)ccc3n2CC(=O)NC2CCCCC2)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)NCc2ccccc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCNC(=O)C(C)C)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCNC(=O)C2CCCCC2)CCN(C)C1.

What is the InChIKey of N-benzyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclohexylacetamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]cyclohexanecarboxamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-2-methylpropanamide?

The InChIKey is IHQRJFIWZDHJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O.C22H31N3O.C20H26ClN3O.C19H27N3O/c1-17-8-9-21-19(14-17)20-16-25(2)12-10-22(20)26(21)13-11-23(27)24-15-18-6-4-3-5-7-18;1-16-8-9-20-18(14-16)19-15-24(2)12-10-21(19)25(20)13-11-23-22(26)17-6-4-3-5-7-17;1-23-10-9-19-17(12-23)16-11-14(21)7-8-18(16)24(19)13-20(25)22-15-5-3-2-4-6-15;1-13(2)19(23)20-8-10-22-17-6-5-14(3)11-15(17)16-12-21(4)9-7-18(16)22/h3-9,14H,10-13,15-16H2,1-2H3,(H,24,27);8-9,14,17H,3-7,10-13,15H2,1-2H3,(H,23,26);7-8,11,15H,2-6,9-10,12-13H2,1H3,(H,22,25);5-6,11,13H,7-10,12H2,1-4H3,(H,20,23).

What are the key properties of N-benzyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclohexylacetamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]cyclohexanecarboxamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-2-methylpropanamide?

N-benzyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclohexylacetamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]cyclohexanecarboxamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-2-methylpropanamide has a molecular weight of 1388.34 g/mol, XLogP of 13.72, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanamide;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-cyclohexylacetamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]cyclohexanecarboxamide;N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 158701986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).