N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine

C9H11N3O — CID 82653823

IUPACN-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine
SMILESCn1cc(CNO)c2cccnc21
InChIInChI=1S/C9H11N3O/c1-12-6-7(5-11-13)8-3-2-4-10-9(8)12/h2-4,6,11,13H,5H2,1H3
InChIKeyBOTCYNZBXXQMIR-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.05
Rot. Bonds2

About N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine

N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine (PubChem CID 82653823) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine
PubChem CID82653823
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine
SMILESCn1cc(CNO)c2cccnc21
InChIInChI=1S/C9H11N3O/c1-12-6-7(5-11-13)8-3-2-4-10-9(8)12/h2-4,6,11,13H,5H2,1H3
InChIKeyBOTCYNZBXXQMIR-UHFFFAOYSA-N
XLogP1.05
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
CID 66412030
2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66412424
N-(4-chlorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014071
N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144367
N-(cyclohexylmethyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144389
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]ethanesulfonamide
CID 53144756
2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol
CID 66411195
N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]but-2-ynamide
CID 146108760
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 53144407
3-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 153487723
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95095586
N,N,1-trimethylpyrrolo[2,3-b]pyridin-3-amine
CID 174356978

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine?
The IUPAC name of N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine (CID 82653823) is N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine.
What is the SMILES notation for N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine?
The canonical SMILES for N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine is Cn1cc(CNO)c2cccnc21.
What is the InChIKey of N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine?
The InChIKey is BOTCYNZBXXQMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-12-6-7(5-11-13)8-3-2-4-10-9(8)12/h2-4,6,11,13H,5H2,1H3.
What are the key properties of N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine?
N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine has a molecular weight of 177.21 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 82653823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).