2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide

C12H16N4O — CID 66414520

IUPAC2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1cc(CN)c2cccnc21
InChIInChI=1S/C12H16N4O/c1-2-14-11(17)8-16-7-9(6-13)10-4-3-5-15-12(10)16/h3-5,7H,2,6,8,13H2,1H3,(H,14,17)
InChIKeyJHDWHZBKTGGMDE-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.63
Rot. Bonds4

About 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide

2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide (PubChem CID 66414520) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide
PubChem CID66414520
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1cc(CN)c2cccnc21
InChIInChI=1S/C12H16N4O/c1-2-14-11(17)8-16-7-9(6-13)10-4-3-5-15-12(10)16/h3-5,7H,2,6,8,13H2,1H3,(H,14,17)
InChIKeyJHDWHZBKTGGMDE-UHFFFAOYSA-N
XLogP0.63
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyanomethyl)acetamide
CID 66413943
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methylpropyl)acetamide
CID 66416278
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 66415886
(1-ethylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66414119
butyl 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]acetate
CID 66415107
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 66414126
(1-pentylpyrrolo[2,3-b]pyridin-3-yl)methanamine
CID 66415692
N-ethyl-3-[3-[(propan-2-ylamino)methyl]pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 66411037
2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-pentan-3-ylacetamide
CID 66415870
2-[3-(hydroxymethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-phenylacetamide
CID 66416054
[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66414725
butyl 2-[3-(ethylaminomethyl)pyrrolo[2,3-b]pyridin-1-yl]acetate
CID 66411609

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide (CID 66414520) is 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide is CCNC(=O)Cn1cc(CN)c2cccnc21.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide?
The InChIKey is JHDWHZBKTGGMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-2-14-11(17)8-16-7-9(6-13)10-4-3-5-15-12(10)16/h3-5,7H,2,6,8,13H2,1H3,(H,14,17).
What are the key properties of 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide?
2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide has a molecular weight of 232.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolo[2,3-b]pyridin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 66414520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).