4-[(2-acetyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;4-[(4-hydroxycarbazol-9-yl)methyl]-N-methylbenzamide;N-hydroxy-4-[[2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;N-methyl-6-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)hexanamide;N-methyl-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide

C140H149N17O10 — CID 161135399

About 4-[(2-acetyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;4-[(4-hydroxycarbazol-9-yl)methyl]-N-methylbenzamide;N-hydroxy-4-[[2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;N-methyl-6-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)hexanamide;N-methyl-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide

4-[(2-acetyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;4-[(4-hydroxycarbazol-9-yl)methyl]-N-methylbenzamide;N-hydroxy-4-[[2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;N-methyl-6-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)hexanamide;N-methyl-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide (PubChem CID 161135399) has the molecular formula C140H149N17O10 and a molecular weight of 2229.84 g/mol. Its IUPAC name is 4-[(2-acetyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;4-[(4-hydroxycarbazol-9-yl)methyl]-N-methylbenzamide;N-hydroxy-4-[[2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;N-methyl-6-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)hexanamide;N-methyl-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 4-[(2-acetyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;4-[(4-hydroxycarbazol-9-yl)methyl]-N-methylbenzamide;N-hydroxy-4-[[2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;N-methyl-6-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)hexanamide;N-methyl-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
• PubChem CID: 161135399
• Molecular Formula: C140H149N17O10
• Molecular Weight: 2229.84 g/mol
• Exact Mass: 2228.17
• IUPAC Name: 4-[(2-acetyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;4-[(4-hydroxycarbazol-9-yl)methyl]-N-methylbenzamide;N-hydroxy-4-[[2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;N-methyl-6-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)hexanamide;N-methyl-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
• SMILES: C=CCN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NC)cc2)C1.CNC(=O)CCCCCn1c2c(c3ccccc31)CN(C)CC2.CNC(=O)c1ccc(Cn2c3c(c4ccccc42)CN(C(C)=O)CC3)cc1.CNC(=O)c1ccc(Cn2c3c(c4ccccc42)CN(Cc2cccc(OC)c2)CC3)cc1.CNC(=O)c1ccc(Cn2c3ccccc3c3c(O)cccc32)cc1.Cc1ccc(CN2CCc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)C2)cc1
• InChI: InChI=1S/C28H29N3O2.C27H27N3O2.C23H25N3O.C22H23N3O2.C21H18N2O2.C19H27N3O/c1-29-28(32)22-12-10-20(11-13-22)18-31-26-9-4-3-8-24(26)25-19-30(15-14-27(25)31)17-21-6-5-7-23(16-21)33-2;1-19-6-8-20(9-7-19)16-29-15-14-26-24(18-29)23-4-2-3-5-25(23)30(26)17-21-10-12-22(13-11-21)27(31)28-32;1-3-13-25-14-12-22-20(16-25)19-6-4-5-7-21(19)26(22)15-17-8-10-18(11-9-17)23(27)24-2;1-15(26)24-12-11-21-19(14-24)18-5-3-4-6-20(18)25(21)13-16-7-9-17(10-8-16)22(27)23-2;1-22-21(25)15-11-9-14(10-12-15)13-23-17-6-3-2-5-16(17)20-18(23)7-4-8-19(20)24;1-20-19(23)10-4-3-7-12-22-17-9-6-5-8-15(17)16-14-21(2)13-11-18(16)22/h3-13,16H,14-15,17-19H2,1-2H3,(H,29,32);2-13,32H,14-18H2,1H3,(H,28,31);3-11H,1,12-16H2,2H3,(H,24,27);3-10H,11-14H2,1-2H3,(H,23,27);2-12,24H,13H2,1H3,(H,22,25);5-6,8-9H,3-4,7,10-14H2,1-2H3,(H,20,23)
• InChIKey: UMSNPTPVAJNCLV-UHFFFAOYSA-N
• XLogP: 22.68
• TPSA: 287.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2229.84
LogP ≤ 5	22.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(2-acetyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;4-[(4-hydroxycarbazol-9-yl)methyl]-N-methylbenzamide;N-hydroxy-4-[[2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;N-methyl-6-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)hexanamide;N-methyl-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide?

The IUPAC name of 4-[(2-acetyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;4-[(4-hydroxycarbazol-9-yl)methyl]-N-methylbenzamide;N-hydroxy-4-[[2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;N-methyl-6-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)hexanamide;N-methyl-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide (CID 161135399) is 4-[(2-acetyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;4-[(4-hydroxycarbazol-9-yl)methyl]-N-methylbenzamide;N-hydroxy-4-[[2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;N-methyl-6-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)hexanamide;N-methyl-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide.

What is the SMILES notation for 4-[(2-acetyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;4-[(4-hydroxycarbazol-9-yl)methyl]-N-methylbenzamide;N-hydroxy-4-[[2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;N-methyl-6-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)hexanamide;N-methyl-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide?

The canonical SMILES for 4-[(2-acetyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;4-[(4-hydroxycarbazol-9-yl)methyl]-N-methylbenzamide;N-hydroxy-4-[[2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;N-methyl-6-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)hexanamide;N-methyl-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide is C=CCN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NC)cc2)C1.CNC(=O)CCCCCn1c2c(c3ccccc31)CN(C)CC2.CNC(=O)c1ccc(Cn2c3c(c4ccccc42)CN(C(C)=O)CC3)cc1.CNC(=O)c1ccc(Cn2c3c(c4ccccc42)CN(Cc2cccc(OC)c2)CC3)cc1.CNC(=O)c1ccc(Cn2c3ccccc3c3c(O)cccc32)cc1.Cc1ccc(CN2CCc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)C2)cc1.

What is the InChIKey of 4-[(2-acetyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;4-[(4-hydroxycarbazol-9-yl)methyl]-N-methylbenzamide;N-hydroxy-4-[[2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;N-methyl-6-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)hexanamide;N-methyl-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide?

The InChIKey is UMSNPTPVAJNCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2.C27H27N3O2.C23H25N3O.C22H23N3O2.C21H18N2O2.C19H27N3O/c1-29-28(32)22-12-10-20(11-13-22)18-31-26-9-4-3-8-24(26)25-19-30(15-14-27(25)31)17-21-6-5-7-23(16-21)33-2;1-19-6-8-20(9-7-19)16-29-15-14-26-24(18-29)23-4-2-3-5-25(23)30(26)17-21-10-12-22(13-11-21)27(31)28-32;1-3-13-25-14-12-22-20(16-25)19-6-4-5-7-21(19)26(22)15-17-8-10-18(11-9-17)23(27)24-2;1-15(26)24-12-11-21-19(14-24)18-5-3-4-6-20(18)25(21)13-16-7-9-17(10-8-16)22(27)23-2;1-22-21(25)15-11-9-14(10-12-15)13-23-17-6-3-2-5-16(17)20-18(23)7-4-8-19(20)24;1-20-19(23)10-4-3-7-12-22-17-9-6-5-8-15(17)16-14-21(2)13-11-18(16)22/h3-13,16H,14-15,17-19H2,1-2H3,(H,29,32);2-13,32H,14-18H2,1H3,(H,28,31);3-11H,1,12-16H2,2H3,(H,24,27);3-10H,11-14H2,1-2H3,(H,23,27);2-12,24H,13H2,1H3,(H,22,25);5-6,8-9H,3-4,7,10-14H2,1-2H3,(H,20,23).

What are the key properties of 4-[(2-acetyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;4-[(4-hydroxycarbazol-9-yl)methyl]-N-methylbenzamide;N-hydroxy-4-[[2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;N-methyl-6-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)hexanamide;N-methyl-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide?

4-[(2-acetyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;4-[(4-hydroxycarbazol-9-yl)methyl]-N-methylbenzamide;N-hydroxy-4-[[2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;N-methyl-6-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)hexanamide;N-methyl-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide has a molecular weight of 2229.84 g/mol, XLogP of 22.68, 28 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-acetyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-methylbenzamide;4-[(4-hydroxycarbazol-9-yl)methyl]-N-methylbenzamide;N-hydroxy-4-[[2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide;4-[[2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-N-methylbenzamide;N-methyl-6-(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)hexanamide;N-methyl-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide is sourced from PubChem (CID 161135399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).