5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol

C14H21N3O — CID 66411011

IUPAC5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol
SMILESCNCc1cn(CCCCCO)c2ncccc12
InChIInChI=1S/C14H21N3O/c1-15-10-12-11-17(8-3-2-4-9-18)14-13(12)6-5-7-16-14/h5-7,11,15,18H,2-4,8-10H2,1H3
InChIKeyLGEJVDVCWWCUOQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.92
Rot. Bonds7

About 5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol

5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol (PubChem CID 66411011) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol
PubChem CID66411011
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol
SMILESCNCc1cn(CCCCCO)c2ncccc12
InChIInChI=1S/C14H21N3O/c1-15-10-12-11-17(8-3-2-4-9-18)14-13(12)6-5-7-16-14/h5-7,11,15,18H,2-4,8-10H2,1H3
InChIKeyLGEJVDVCWWCUOQ-UHFFFAOYSA-N
XLogP1.92
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol
CID 66413359
2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol
CID 66411195
5-[3-[(2-methylpropylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol
CID 66413411
3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66412968
N-[(1-octylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66411018
2,2-dimethyl-3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanoic acid
CID 79621679
methyl 4-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]butanoate
CID 66416051
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66413562
1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 105405146
(1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66415692
2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 66411058
N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66411997

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol?
The IUPAC name of 5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol (CID 66411011) is 5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol is CNCc1cn(CCCCCO)c2ncccc12.
What is the InChIKey of 5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol?
The InChIKey is LGEJVDVCWWCUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-15-10-12-11-17(8-3-2-4-9-18)14-13(12)6-5-7-16-14/h5-7,11,15,18H,2-4,8-10H2,1H3.
What are the key properties of 5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol?
5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol is sourced from PubChem (CID 66411011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).