N-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide

C15H15N3O2 — CID 58171417

IUPACN-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide
SMILESCC(=O)N(O)C(C)n1c2ccccc2c2ccncc21
InChIInChI=1S/C15H15N3O2/c1-10(18(20)11(2)19)17-14-6-4-3-5-12(14)13-7-8-16-9-15(13)17/h3-10,20H,1-2H3
InChIKeyQIRRKSQCJFICSM-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.95
Rot. Bonds2

About N-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide

N-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide (PubChem CID 58171417) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide.

Molecular Properties

Compound NameN-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide
PubChem CID58171417
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide
SMILESCC(=O)N(O)C(C)n1c2ccccc2c2ccncc21
InChIInChI=1S/C15H15N3O2/c1-10(18(20)11(2)19)17-14-6-4-3-5-12(14)13-7-8-16-9-15(13)17/h3-10,20H,1-2H3
InChIKeyQIRRKSQCJFICSM-UHFFFAOYSA-N
XLogP2.95
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 N-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide?
The IUPAC name of N-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide (CID 58171417) is N-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide.
What is the SMILES notation for N-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide?
The canonical SMILES for N-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide is CC(=O)N(O)C(C)n1c2ccccc2c2ccncc21.
What is the InChIKey of N-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide?
The InChIKey is QIRRKSQCJFICSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10(18(20)11(2)19)17-14-6-4-3-5-12(14)13-7-8-16-9-15(13)17/h3-10,20H,1-2H3.
What are the key properties of N-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide?
N-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide has a molecular weight of 269.30 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(1-pyrido[3,4-b]indol-9-ylethyl)acetamide is sourced from PubChem (CID 58171417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).