(3R)-N-cyclohexyl-2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide

C24H35N3O — CID 10339831

IUPAC(3R)-N-cyclohexyl-2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
SMILESCCCCCCN1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)NC1CCCCC1
InChIInChI=1S/C24H35N3O/c1-2-3-4-10-15-27-17-22-20(19-13-8-9-14-21(19)26-22)16-23(27)24(28)25-18-11-6-5-7-12-18/h8-9,13-14,18,23,26H,2-7,10-12,15-17H2,1H3,(H,25,28)/t23-/m1/s1
InChIKeyAZVHKKFWRXZFLK-HSZRJFAPSA-N
MW381.56 g/mol
LogP4.92
Rot. Bonds7

About (3R)-N-cyclohexyl-2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide

(3R)-N-cyclohexyl-2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide (PubChem CID 10339831) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
PubChem CID10339831
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name(3R)-N-cyclohexyl-2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide
SMILESCCCCCCN1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)NC1CCCCC1
InChIInChI=1S/C24H35N3O/c1-2-3-4-10-15-27-17-22-20(19-13-8-9-14-21(19)26-22)16-23(27)24(28)25-18-11-6-5-7-12-18/h8-9,13-14,18,23,26H,2-7,10-12,15-17H2,1H3,(H,25,28)/t23-/m1/s1
InChIKeyAZVHKKFWRXZFLK-HSZRJFAPSA-N
XLogP4.92
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.56
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide (CID 10339831) is (3R)-N-cyclohexyl-2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide is CCCCCCN1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)NC1CCCCC1.
What is the InChIKey of (3R)-N-cyclohexyl-2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide?
The InChIKey is AZVHKKFWRXZFLK-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H35N3O/c1-2-3-4-10-15-27-17-22-20(19-13-8-9-14-21(19)26-22)16-23(27)24(28)25-18-11-6-5-7-12-18/h8-9,13-14,18,23,26H,2-7,10-12,15-17H2,1H3,(H,25,28)/t23-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide?
(3R)-N-cyclohexyl-2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide has a molecular weight of 381.56 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-2-hexyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 10339831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).