N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1-methylpyrrole-3-carboxamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-2-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-4-ylpropanamide

C84H104N16O4 — CID 157109196

About N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1-methylpyrrole-3-carboxamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-2-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-4-ylpropanamide

N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1-methylpyrrole-3-carboxamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-2-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-4-ylpropanamide (PubChem CID 157109196) has the molecular formula C84H104N16O4 and a molecular weight of 1401.86 g/mol. Its IUPAC name is N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1-methylpyrrole-3-carboxamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-2-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-4-ylpropanamide.

Molecular Properties

• Compound Name: N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1-methylpyrrole-3-carboxamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-2-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-4-ylpropanamide
• PubChem CID: 157109196
• Molecular Formula: C84H104N16O4
• Molecular Weight: 1401.86 g/mol
• Exact Mass: 1400.84
• IUPAC Name: N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1-methylpyrrole-3-carboxamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-2-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-4-ylpropanamide
• SMILES: Cc1ccc2c(c1)c1c(n2CCC(=O)NC2CCNCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)Nc2ccccn2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)Nc2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCNC(=O)c2ccn(C)c2)CCN(C)C1
• InChI: InChI=1S/C21H26N4O.C21H30N4O.2C21H24N4O/c1-15-4-5-19-17(12-15)18-14-24(3)10-7-20(18)25(19)11-8-22-21(26)16-6-9-23(2)13-16;2*1-15-3-4-19-17(13-15)18-14-24(2)11-7-20(18)25(19)12-8-21(26)23-16-5-9-22-10-6-16;1-15-6-7-18-16(13-15)17-14-24(2)11-8-19(17)25(18)12-9-21(26)23-20-5-3-4-10-22-20/h4-6,9,12-13H,7-8,10-11,14H2,1-3H3,(H,22,26);3-4,13,16,22H,5-12,14H2,1-2H3,(H,23,26);3-6,9-10,13H,7-8,11-12,14H2,1-2H3,(H,22,23,26);3-7,10,13H,8-9,11-12,14H2,1-2H3,(H,22,23,26)
• InChIKey: AGQLLPALJCJNSQ-UHFFFAOYSA-N
• XLogP: 11.62
• TPSA: 191.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1401.86
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	5
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-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1-methylpyrrole-3-carboxamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-2-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-4-ylpropanamide?

The IUPAC name of N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1-methylpyrrole-3-carboxamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-2-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-4-ylpropanamide (CID 157109196) is N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1-methylpyrrole-3-carboxamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-2-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-4-ylpropanamide.

What is the SMILES notation for N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1-methylpyrrole-3-carboxamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-2-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-4-ylpropanamide?

The canonical SMILES for N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1-methylpyrrole-3-carboxamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-2-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-4-ylpropanamide is Cc1ccc2c(c1)c1c(n2CCC(=O)NC2CCNCC2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)Nc2ccccn2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCC(=O)Nc2ccncc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCNC(=O)c2ccn(C)c2)CCN(C)C1.

What is the InChIKey of N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1-methylpyrrole-3-carboxamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-2-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-4-ylpropanamide?

The InChIKey is AGQLLPALJCJNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O.C21H30N4O.2C21H24N4O/c1-15-4-5-19-17(12-15)18-14-24(3)10-7-20(18)25(19)11-8-22-21(26)16-6-9-23(2)13-16;2*1-15-3-4-19-17(13-15)18-14-24(2)11-7-20(18)25(19)12-8-21(26)23-16-5-9-22-10-6-16;1-15-6-7-18-16(13-15)17-14-24(2)11-8-19(17)25(18)12-9-21(26)23-20-5-3-4-10-22-20/h4-6,9,12-13H,7-8,10-11,14H2,1-3H3,(H,22,26);3-4,13,16,22H,5-12,14H2,1-2H3,(H,23,26);3-6,9-10,13H,7-8,11-12,14H2,1-2H3,(H,22,23,26);3-7,10,13H,8-9,11-12,14H2,1-2H3,(H,22,23,26).

What are the key properties of N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1-methylpyrrole-3-carboxamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-2-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-4-ylpropanamide?

N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1-methylpyrrole-3-carboxamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-2-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-4-ylpropanamide has a molecular weight of 1401.86 g/mol, XLogP of 11.62, 16 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-1-methylpyrrole-3-carboxamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-piperidin-4-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-2-ylpropanamide;3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 157109196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).