4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol

C13H19N3O — CID 66413359

IUPAC4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol
SMILESCNCc1cn(CCCCO)c2ncccc12
InChIInChI=1S/C13H19N3O/c1-14-9-11-10-16(7-2-3-8-17)13-12(11)5-4-6-15-13/h4-6,10,14,17H,2-3,7-9H2,1H3
InChIKeyACKQPCSYLDCUJL-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.53
Rot. Bonds6

About 4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol

4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol (PubChem CID 66413359) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol
PubChem CID66413359
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol
SMILESCNCc1cn(CCCCO)c2ncccc12
InChIInChI=1S/C13H19N3O/c1-14-9-11-10-16(7-2-3-8-17)13-12(11)5-4-6-15-13/h4-6,10,14,17H,2-3,7-9H2,1H3
InChIKeyACKQPCSYLDCUJL-UHFFFAOYSA-N
XLogP1.53
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.53
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

5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol
CID 66411011
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
N-[[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66411997
1-[1-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 66411193

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol?
The IUPAC name of 4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol (CID 66413359) is 4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol?
The canonical SMILES for 4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol is CNCc1cn(CCCCO)c2ncccc12.
What is the InChIKey of 4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol?
The InChIKey is ACKQPCSYLDCUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-9-11-10-16(7-2-3-8-17)13-12(11)5-4-6-15-13/h4-6,10,14,17H,2-3,7-9H2,1H3.
What are the key properties of 4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol?
4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol has a molecular weight of 233.31 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol is sourced from PubChem (CID 66413359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).