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

C12H15N3O2 — CID 66414687

IUPAC3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide
SMILESCC(Cn1cc(CO)c2cccnc21)C(N)=O
InChIInChI=1S/C12H15N3O2/c1-8(11(13)17)5-15-6-9(7-16)10-3-2-4-14-12(10)15/h2-4,6,8,16H,5,7H2,1H3,(H2,13,17)
InChIKeyLIILPKRXVBXFRM-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.65
Rot. Bonds4

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

3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide (PubChem CID 66414687) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide
PubChem CID66414687
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide
SMILESCC(Cn1cc(CO)c2cccnc21)C(N)=O
InChIInChI=1S/C12H15N3O2/c1-8(11(13)17)5-15-6-9(7-16)10-3-2-4-14-12(10)15/h2-4,6,8,16H,5,7H2,1H3,(H2,13,17)
InChIKeyLIILPKRXVBXFRM-UHFFFAOYSA-N
XLogP0.65
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide?
The IUPAC name of 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide (CID 66414687) is 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide?
The canonical SMILES for 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide is CC(Cn1cc(CO)c2cccnc21)C(N)=O.
What is the InChIKey of 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide?
The InChIKey is LIILPKRXVBXFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(11(13)17)5-15-6-9(7-16)10-3-2-4-14-12(10)15/h2-4,6,8,16H,5,7H2,1H3,(H2,13,17).
What are the key properties of 3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide?
3-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-2-methylpropanamide has a molecular weight of 233.27 g/mol, XLogP of 0.65, 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]-2-methylpropanamide is sourced from PubChem (CID 66414687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).