6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide

C19H27N3O2 — CID 50898508

IUPAC6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide
SMILESCc1cccc2c3c(n(CCCCCC(=O)NO)c12)CCN(C)C3
InChIInChI=1S/C19H27N3O2/c1-14-7-6-8-15-16-13-21(2)12-10-17(16)22(19(14)15)11-5-3-4-9-18(23)20-24/h6-8,24H,3-5,9-13H2,1-2H3,(H,20,23)
InChIKeySCWJSZKULJRVNC-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.00
Rot. Bonds6

About 6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide

6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide (PubChem CID 50898508) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide
PubChem CID50898508
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide
SMILESCc1cccc2c3c(n(CCCCCC(=O)NO)c12)CCN(C)C3
InChIInChI=1S/C19H27N3O2/c1-14-7-6-8-15-16-13-21(2)12-10-17(16)22(19(14)15)11-5-3-4-9-18(23)20-24/h6-8,24H,3-5,9-13H2,1-2H3,(H,20,23)
InChIKeySCWJSZKULJRVNC-UHFFFAOYSA-N
XLogP3.00
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide?
The IUPAC name of 6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide (CID 50898508) is 6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide.
What is the SMILES notation for 6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide?
The canonical SMILES for 6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide is Cc1cccc2c3c(n(CCCCCC(=O)NO)c12)CCN(C)C3.
What is the InChIKey of 6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide?
The InChIKey is SCWJSZKULJRVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-7-6-8-15-16-13-21(2)12-10-17(16)22(19(14)15)11-5-3-4-9-18(23)20-24/h6-8,24H,3-5,9-13H2,1-2H3,(H,20,23).
What are the key properties of 6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide?
6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide has a molecular weight of 329.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N-hydroxyhexanamide is sourced from PubChem (CID 50898508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).