2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide

C16H15N3O2 — CID 134811154

IUPAC2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESNC(=O)Cc1c[nH]c2ncc(-c3cccc(CO)c3)cc12
InChIInChI=1S/C16H15N3O2/c17-15(21)6-13-8-19-16-14(13)5-12(7-18-16)11-3-1-2-10(4-11)9-20/h1-5,7-8,20H,6,9H2,(H2,17,21)(H,18,19)
InChIKeySGULRJYKPGNJSZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.75
Rot. Bonds4

About 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide

2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (PubChem CID 134811154) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
PubChem CID134811154
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESNC(=O)Cc1c[nH]c2ncc(-c3cccc(CO)c3)cc12
InChIInChI=1S/C16H15N3O2/c17-15(21)6-13-8-19-16-14(13)5-12(7-18-16)11-3-1-2-10(4-11)9-20/h1-5,7-8,20H,6,9H2,(H2,17,21)(H,18,19)
InChIKeySGULRJYKPGNJSZ-UHFFFAOYSA-N
XLogP1.75
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (CID 134811154) is 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is NC(=O)Cc1c[nH]c2ncc(-c3cccc(CO)c3)cc12.
What is the InChIKey of 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is SGULRJYKPGNJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-15(21)6-13-8-19-16-14(13)5-12(7-18-16)11-3-1-2-10(4-11)9-20/h1-5,7-8,20H,6,9H2,(H2,17,21)(H,18,19).
What are the key properties of 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 281.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 134811154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).