2-(3-propanoylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

C19H19N3O2 — CID 1251375

IUPAC2-(3-propanoylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCCC(=O)c1cn(CC(=O)NCc2cccnc2)c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-2-18(23)16-12-22(17-8-4-3-7-15(16)17)13-19(24)21-11-14-6-5-9-20-10-14/h3-10,12H,2,11,13H2,1H3,(H,21,24)
InChIKeyUAUWXBJSLWAANL-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.95
Rot. Bonds6

About 2-(3-propanoylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(3-propanoylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 1251375) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(3-propanoylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-propanoylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID1251375
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(3-propanoylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCCC(=O)c1cn(CC(=O)NCc2cccnc2)c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-2-18(23)16-12-22(17-8-4-3-7-15(16)17)13-19(24)21-11-14-6-5-9-20-10-14/h3-10,12H,2,11,13H2,1H3,(H,21,24)
InChIKeyUAUWXBJSLWAANL-UHFFFAOYSA-N
XLogP2.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propanoylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-propanoylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 1251375) is 2-(3-propanoylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-propanoylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-propanoylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is CCC(=O)c1cn(CC(=O)NCc2cccnc2)c2ccccc12.
What is the InChIKey of 2-(3-propanoylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is UAUWXBJSLWAANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-18(23)16-12-22(17-8-4-3-7-15(16)17)13-19(24)21-11-14-6-5-9-20-10-14/h3-10,12H,2,11,13H2,1H3,(H,21,24).
What are the key properties of 2-(3-propanoylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(3-propanoylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propanoylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 1251375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).