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

C12H17N3O — CID 66412424

IUPAC2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
SMILESCOCCNCc1cn(C)c2ncccc12
InChIInChI=1S/C12H17N3O/c1-15-9-10(8-13-6-7-16-2)11-4-3-5-14-12(11)15/h3-5,9,13H,6-8H2,1-2H3
InChIKeyTUPWEKIYLBLYQE-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.31
Rot. Bonds5

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

2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine (PubChem CID 66412424) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
PubChem CID66412424
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
SMILESCOCCNCc1cn(C)c2ncccc12
InChIInChI=1S/C12H17N3O/c1-15-9-10(8-13-6-7-16-2)11-4-3-5-14-12(11)15/h3-5,9,13H,6-8H2,1-2H3
InChIKeyTUPWEKIYLBLYQE-UHFFFAOYSA-N
XLogP1.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile
CID 66413215
N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine
CID 66412817
3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66413413
N-(3-methoxypropyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144367
N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]hydroxylamine
CID 82653823
2-methoxy-N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66413414
2-methoxy-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66411252
2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66410865
2-methyl-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]propan-2-amine
CID 66412030
2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986
N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66412006
2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine (CID 66412424) is 2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine is COCCNCc1cn(C)c2ncccc12.
What is the InChIKey of 2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine?
The InChIKey is TUPWEKIYLBLYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15-9-10(8-13-6-7-16-2)11-4-3-5-14-12(11)15/h3-5,9,13H,6-8H2,1-2H3.
What are the key properties of 2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine?
2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine has a molecular weight of 219.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine is sourced from PubChem (CID 66412424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).