N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine

C16H25N3O2 — CID 66412817

IUPACN-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine
SMILESCCOCCCn1cc(CNCCOC)c2cccnc21
InChIInChI=1S/C16H25N3O2/c1-3-21-10-5-9-19-13-14(12-17-8-11-20-2)15-6-4-7-18-16(15)19/h4,6-7,13,17H,3,5,8-12H2,1-2H3
InChIKeyNMIVASQXUXSGBN-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.20
Rot. Bonds10

About N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine

N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine (PubChem CID 66412817) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine
PubChem CID66412817
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine
SMILESCCOCCCn1cc(CNCCOC)c2cccnc21
InChIInChI=1S/C16H25N3O2/c1-3-21-10-5-9-19-13-14(12-17-8-11-20-2)15-6-4-7-18-16(15)19/h4,6-7,13,17H,3,5,8-12H2,1-2H3
InChIKeyNMIVASQXUXSGBN-UHFFFAOYSA-N
XLogP2.20
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.20
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-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66412424
3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66413413
2-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]acetonitrile
CID 66413215
N-[[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 66412412
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
N-[(1-octylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66411018
[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66414725
N-[[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methyl]propan-1-amine
CID 66412006
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402286
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 N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine (CID 66412817) is N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine is CCOCCCn1cc(CNCCOC)c2cccnc21.
What is the InChIKey of N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is NMIVASQXUXSGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-21-10-5-9-19-13-14(12-17-8-11-20-2)15-6-4-7-18-16(15)19/h4,6-7,13,17H,3,5,8-12H2,1-2H3.
What are the key properties of N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine?
N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 291.40 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-ethoxypropyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66412817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).