2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide

C23H32N4O2 — CID 53137814

IUPAC2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
SMILESCC(=O)N1CCc2[nH]c3ccc(C(=O)NCCN(C)C4CCCCC4)cc3c2C1
InChIInChI=1S/C23H32N4O2/c1-16(28)27-12-10-22-20(15-27)19-14-17(8-9-21(19)25-22)23(29)24-11-13-26(2)18-6-4-3-5-7-18/h8-9,14,18,25H,3-7,10-13,15H2,1-2H3,(H,24,29)
InChIKeyWQZGODBUFSJOFH-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.07
Rot. Bonds5

About 2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide

2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide (PubChem CID 53137814) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
PubChem CID53137814
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
SMILESCC(=O)N1CCc2[nH]c3ccc(C(=O)NCCN(C)C4CCCCC4)cc3c2C1
InChIInChI=1S/C23H32N4O2/c1-16(28)27-12-10-22-20(15-27)19-14-17(8-9-21(19)25-22)23(29)24-11-13-26(2)18-6-4-3-5-7-18/h8-9,14,18,25H,3-7,10-13,15H2,1-2H3,(H,24,29)
InChIKeyWQZGODBUFSJOFH-UHFFFAOYSA-N
XLogP3.07
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide?
The IUPAC name of 2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide (CID 53137814) is 2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide.
What is the SMILES notation for 2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide?
The canonical SMILES for 2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide is CC(=O)N1CCc2[nH]c3ccc(C(=O)NCCN(C)C4CCCCC4)cc3c2C1.
What is the InChIKey of 2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide?
The InChIKey is WQZGODBUFSJOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16(28)27-12-10-22-20(15-27)19-14-17(8-9-21(19)25-22)23(29)24-11-13-26(2)18-6-4-3-5-7-18/h8-9,14,18,25H,3-7,10-13,15H2,1-2H3,(H,24,29).
What are the key properties of 2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide?
2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide is sourced from PubChem (CID 53137814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).