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

C11H13N3O2 — CID 66415084

IUPAC3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
SMILESNC(=O)CCn1cc(CO)c2cccnc21
InChIInChI=1S/C11H13N3O2/c12-10(16)3-5-14-6-8(7-15)9-2-1-4-13-11(9)14/h1-2,4,6,15H,3,5,7H2,(H2,12,16)
InChIKeyHSDTUAQIOAQXJY-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.40
Rot. Bonds4

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

3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide (PubChem CID 66415084) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
PubChem CID66415084
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
SMILESNC(=O)CCn1cc(CO)c2cccnc21
InChIInChI=1S/C11H13N3O2/c12-10(16)3-5-14-6-8(7-15)9-2-1-4-13-11(9)14/h1-2,4,6,15H,3,5,7H2,(H2,12,16)
InChIKeyHSDTUAQIOAQXJY-UHFFFAOYSA-N
XLogP0.40
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(methylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66412968
3-[3-[(2-methoxyethylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66413413
methyl 4-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]butanoate
CID 66416051
[1-(2-pyridin-2-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414895
3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide
CID 66414687
[1-[2-(dimethylamino)ethyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66415275
[1-(2-pyrrolidin-1-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416265
[1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414288
2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide
CID 66416054
(1-but-2-ynylpyrrolo[2,3-b]pyridin-3-yl)methanol
CID 66416644
[1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416049
[1-[(2-chlorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414894

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The IUPAC name of 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide (CID 66415084) is 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The canonical SMILES for 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide is NC(=O)CCn1cc(CO)c2cccnc21.
What is the InChIKey of 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide?
The InChIKey is HSDTUAQIOAQXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-10(16)3-5-14-6-8(7-15)9-2-1-4-13-11(9)14/h1-2,4,6,15H,3,5,7H2,(H2,12,16).
What are the key properties of 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide?
3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide has a molecular weight of 219.24 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide is sourced from PubChem (CID 66415084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).