3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide

C14H20N4O2 — CID 66413413

IUPAC3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
SMILESCOCCNCc1cn(CCC(N)=O)c2ncccc12
InChIInChI=1S/C14H20N4O2/c1-20-8-6-16-9-11-10-18(7-4-13(15)19)14-12(11)3-2-5-17-14/h2-3,5,10,16H,4,6-9H2,1H3,(H2,15,19)
InChIKeyMGZIFVGWOROEEK-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.65
Rot. Bonds8

About 3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide

3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide (PubChem CID 66413413) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
PubChem CID66413413
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
SMILESCOCCNCc1cn(CCC(N)=O)c2ncccc12
InChIInChI=1S/C14H20N4O2/c1-20-8-6-16-9-11-10-18(7-4-13(15)19)14-12(11)3-2-5-17-14/h2-3,5,10,16H,4,6-9H2,1H3,(H2,15,19)
InChIKeyMGZIFVGWOROEEK-UHFFFAOYSA-N
XLogP0.65
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66412968
N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine
CID 66412817
2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66412424
3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66415084
2-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile
CID 66413215
3-[3-[(3-pyridin-3-yloxypropylamino)methyl]indol-1-yl]propanamide
CID 46985288
2-methoxy-N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66413414
2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66410865
2-methoxy-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66411252
2-[1-(2-methoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-propan-2-ylacetamide
CID 53144495
3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide
CID 66402058
N-[[1-(2-ethylsulfonylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66411620

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The IUPAC name of 3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide (CID 66413413) is 3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide.
What is the SMILES notation for 3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The canonical SMILES for 3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide is COCCNCc1cn(CCC(N)=O)c2ncccc12.
What is the InChIKey of 3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The InChIKey is MGZIFVGWOROEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-20-8-6-16-9-11-10-18(7-4-13(15)19)14-12(11)3-2-5-17-14/h2-3,5,10,16H,4,6-9H2,1H3,(H2,15,19).
What are the key properties of 3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide?
3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide has a molecular weight of 276.34 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide is sourced from PubChem (CID 66413413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).