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

C15H21N3O2 — CID 66415870

IUPAC2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1cc(CO)c2cccnc21
InChIInChI=1S/C15H21N3O2/c1-3-12(4-2)17-14(20)9-18-8-11(10-19)13-6-5-7-16-15(13)18/h5-8,12,19H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyCEQJISZJOCBSSZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.83
Rot. Bonds6

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

2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide (PubChem CID 66415870) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide
PubChem CID66415870
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cn1cc(CO)c2cccnc21
InChIInChI=1S/C15H21N3O2/c1-3-12(4-2)17-14(20)9-18-8-11(10-19)13-6-5-7-16-15(13)18/h5-8,12,19H,3-4,9-10H2,1-2H3,(H,17,20)
InChIKeyCEQJISZJOCBSSZ-UHFFFAOYSA-N
XLogP1.83
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.83
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-phenylacetamide
CID 66416054
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
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methylpropyl)acetamide
CID 66416278
3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide
CID 66414687
[1-(2-bromoprop-2-enyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66414288
(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
3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66415084
[1-[(3-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416443
N-[2-(1-propylpyrrolo[2,3-b]pyridin-3-yl)ethyl]propanamide
CID 53145138

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide (CID 66415870) is 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cn1cc(CO)c2cccnc21.
What is the InChIKey of 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide?
The InChIKey is CEQJISZJOCBSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-12(4-2)17-14(20)9-18-8-11(10-19)13-6-5-7-16-15(13)18/h5-8,12,19H,3-4,9-10H2,1-2H3,(H,17,20).
What are the key properties of 2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide?
2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide has a molecular weight of 275.35 g/mol, XLogP of 1.83, 6 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-pentan-3-ylacetamide is sourced from PubChem (CID 66415870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).