N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C94H118N14O4 — CID 158051558

About N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole

N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 158051558) has the molecular formula C94H118N14O4 and a molecular weight of 1508.07 g/mol. Its IUPAC name is N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 158051558
• Molecular Formula: C94H118N14O4
• Molecular Weight: 1508.07 g/mol
• Exact Mass: 1506.95
• IUPAC Name: N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: CCCOC(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.Cc1ccc2c(c1)c1c(n2CC(C(=O)NC(C)(C)C)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C(N)=O)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(OCC(C)(C)C)c2ccncc2)CCN(C)C1
• InChI: InChI=1S/C25H32N4O.C25H33N3O.C23H29N3O.C21H24N4O/c1-17-6-7-22-19(14-17)21-15-28(5)13-10-23(21)29(22)16-20(18-8-11-26-12-9-18)24(30)27-25(2,3)4;1-18-6-7-22-20(14-18)21-15-27(5)13-10-23(21)28(22)16-24(29-17-25(2,3)4)19-8-11-26-12-9-19;1-4-13-27-23(18-7-10-24-11-8-18)16-26-21-6-5-17(2)14-19(21)20-15-25(3)12-9-22(20)26;1-14-3-4-19-16(11-14)18-12-24(2)10-7-20(18)25(19)13-17(21(22)26)15-5-8-23-9-6-15/h6-9,11-12,14,20H,10,13,15-16H2,1-5H3,(H,27,30);6-9,11-12,14,24H,10,13,15-17H2,1-5H3;5-8,10-11,14,23H,4,9,12-13,15-16H2,1-3H3;3-6,8-9,11,17H,7,10,12-13H2,1-2H3,(H2,22,26)
• InChIKey: FJNXLBIHMQWDNJ-UHFFFAOYSA-N
• XLogP: 16.27
• TPSA: 174.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 19
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1508.07
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 158051558) is N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is CCCOC(Cn1c2c(c3cc(C)ccc31)CN(C)CC2)c1ccncc1.Cc1ccc2c(c1)c1c(n2CC(C(=O)NC(C)(C)C)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C(N)=O)c2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(OCC(C)(C)C)c2ccncc2)CCN(C)C1.

What is the InChIKey of N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is FJNXLBIHMQWDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O.C25H33N3O.C23H29N3O.C21H24N4O/c1-17-6-7-22-19(14-17)21-15-28(5)13-10-23(21)29(22)16-20(18-8-11-26-12-9-18)24(30)27-25(2,3)4;1-18-6-7-22-20(14-18)21-15-27(5)13-10-23(21)28(22)16-24(29-17-25(2,3)4)19-8-11-26-12-9-19;1-4-13-27-23(18-7-10-24-11-8-18)16-26-21-6-5-17(2)14-19(21)20-15-25(3)12-9-22(20)26;1-14-3-4-19-16(11-14)18-12-24(2)10-7-20(18)25(19)13-17(21(22)26)15-5-8-23-9-6-15/h6-9,11-12,14,20H,10,13,15-16H2,1-5H3,(H,27,30);6-9,11-12,14,24H,10,13,15-17H2,1-5H3;5-8,10-11,14,23H,4,9,12-13,15-16H2,1-3H3;3-6,8-9,11,17H,7,10,12-13H2,1-2H3,(H2,22,26).

What are the key properties of N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole?

N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1508.07 g/mol, XLogP of 16.27, 19 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;2,8-dimethyl-5-(2-propoxy-2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[2-(2,2-dimethylpropoxy)-2-pyridin-4-ylethyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 158051558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).