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

C16H19N3OS — CID 66410865

IUPAC2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
SMILESCOCCNCc1cn(Cc2ccsc2)c2ncccc12
InChIInChI=1S/C16H19N3OS/c1-20-7-6-17-9-14-11-19(10-13-4-8-21-12-13)16-15(14)3-2-5-18-16/h2-5,8,11-12,17H,6-7,9-10H2,1H3
InChIKeySOHDAPRCOQVBLS-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.88
Rot. Bonds7

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

2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine (PubChem CID 66410865) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
PubChem CID66410865
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
SMILESCOCCNCc1cn(Cc2ccsc2)c2ncccc12
InChIInChI=1S/C16H19N3OS/c1-20-7-6-17-9-14-11-19(10-13-4-8-21-12-13)16-15(14)3-2-5-18-16/h2-5,8,11-12,17H,6-7,9-10H2,1H3
InChIKeySOHDAPRCOQVBLS-UHFFFAOYSA-N
XLogP2.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66413414
[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66416677
2-methoxy-N-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66411252
2-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile
CID 66413215
2-methoxy-N-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66412424
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-[[1-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66411229
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66412791
2-methoxy-N-(quinolin-5-ylmethyl)ethanamine
CID 62543986
N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66410832
1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 105405146

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine (CID 66410865) is 2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine is COCCNCc1cn(Cc2ccsc2)c2ncccc12.
What is the InChIKey of 2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The InChIKey is SOHDAPRCOQVBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-20-7-6-17-9-14-11-19(10-13-4-8-21-12-13)16-15(14)3-2-5-18-16/h2-5,8,11-12,17H,6-7,9-10H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine has a molecular weight of 301.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(thiophen-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine is sourced from PubChem (CID 66410865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).