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

C12H16N4O — CID 66412968

IUPAC3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
SMILESCNCc1cn(CCC(N)=O)c2ncccc12
InChIInChI=1S/C12H16N4O/c1-14-7-9-8-16(6-4-11(13)17)12-10(9)3-2-5-15-12/h2-3,5,8,14H,4,6-7H2,1H3,(H2,13,17)
InChIKeyZEEFNTJEOBWTES-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.63
Rot. Bonds5

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

3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide (PubChem CID 66412968) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
PubChem CID66412968
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
SMILESCNCc1cn(CCC(N)=O)c2ncccc12
InChIInChI=1S/C12H16N4O/c1-14-7-9-8-16(6-4-11(13)17)12-10(9)3-2-5-15-12/h2-3,5,8,14H,4,6-7H2,1H3,(H2,13,17)
InChIKeyZEEFNTJEOBWTES-UHFFFAOYSA-N
XLogP0.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66415084
3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66413413
2-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]ethanol
CID 66411195
4-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]butan-1-ol
CID 66413359
5-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]pentan-1-ol
CID 66411011
3-[3-(methylaminomethyl)indol-1-yl]propanamide
CID 66407765
2,2-dimethyl-3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanoic acid
CID 79621679
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66413562
N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66411037
1-[1-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 105405146
N-[(1-octylpyrrolo[2,3-b]pyridin-3-yl)methyl]ethanamine
CID 66411018
methyl 4-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]butanoate
CID 66416051

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The IUPAC name of 3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide (CID 66412968) is 3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide.
What is the SMILES notation for 3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The canonical SMILES for 3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide is CNCc1cn(CCC(N)=O)c2ncccc12.
What is the InChIKey of 3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The InChIKey is ZEEFNTJEOBWTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-14-7-9-8-16(6-4-11(13)17)12-10(9)3-2-5-15-12/h2-3,5,8,14H,4,6-7H2,1H3,(H2,13,17).
What are the key properties of 3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide?
3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide has a molecular weight of 232.29 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide is sourced from PubChem (CID 66412968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).