N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide

C17H21N3O2 — CID 91668531

IUPACN-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide
SMILESCC(=O)NCCCCn1c2c(c3ccccc31)C(=O)NCC2
InChIInChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyRYVLOOXFFIFQEN-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.84
Rot. Bonds5

About N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide

N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide (PubChem CID 91668531) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide
PubChem CID91668531
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide
SMILESCC(=O)NCCCCn1c2c(c3ccccc31)C(=O)NCC2
InChIInChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyRYVLOOXFFIFQEN-UHFFFAOYSA-N
XLogP1.84
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide?
The IUPAC name of N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide (CID 91668531) is N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide.
What is the SMILES notation for N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide?
The canonical SMILES for N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide is CC(=O)NCCCCn1c2c(c3ccccc31)C(=O)NCC2.
What is the InChIKey of N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide?
The InChIKey is RYVLOOXFFIFQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(21)18-9-4-5-11-20-14-7-3-2-6-13(14)16-15(20)8-10-19-17(16)22/h2-3,6-7H,4-5,8-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide?
N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide has a molecular weight of 299.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide is sourced from PubChem (CID 91668531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).