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

C16H15N3O2 — CID 66416054

IUPAC2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(CO)c2cccnc21)Nc1ccccc1
InChIInChI=1S/C16H15N3O2/c20-11-12-9-19(16-14(12)7-4-8-17-16)10-15(21)18-13-5-2-1-3-6-13/h1-9,20H,10-11H2,(H,18,21)
InChIKeyKDZQNYIZXPUCMG-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.17
Rot. Bonds4

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

2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide (PubChem CID 66416054) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide
PubChem CID66416054
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(CO)c2cccnc21)Nc1ccccc1
InChIInChI=1S/C16H15N3O2/c20-11-12-9-19(16-14(12)7-4-8-17-16)10-15(21)18-13-5-2-1-3-6-13/h1-9,20H,10-11H2,(H,18,21)
InChIKeyKDZQNYIZXPUCMG-UHFFFAOYSA-N
XLogP2.17
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide
CID 66415870
[1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414288
2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide
CID 62221393
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide
CID 66414520
[1-(2-methylidenebutyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416049
[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]propanamide
CID 66415084
3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide
CID 66414687
[1-(2,2-difluoro-2-phenylethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 116790128
(1-but-2-ynylpyrrolo[2,3-b]pyridin-3-yl)methanol
CID 66416644
methyl 4-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]butanoate
CID 66416051
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyanomethyl)acetamide
CID 66413943

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide (CID 66416054) is 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide is O=C(Cn1cc(CO)c2cccnc21)Nc1ccccc1.
What is the InChIKey of 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide?
The InChIKey is KDZQNYIZXPUCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-11-12-9-19(16-14(12)7-4-8-17-16)10-15(21)18-13-5-2-1-3-6-13/h1-9,20H,10-11H2,(H,18,21).
What are the key properties of 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide?
2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide has a molecular weight of 281.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 66416054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).