2-(2-oxobenzo[cd]indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

C19H15N3O2 — CID 848348

IUPAC2-(2-oxobenzo[cd]indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)NCc1cccnc1
InChIInChI=1S/C19H15N3O2/c23-17(21-11-13-4-3-9-20-10-13)12-22-16-8-2-6-14-5-1-7-15(18(14)16)19(22)24/h1-10H,11-12H2,(H,21,23)
InChIKeySTNUFYASKJIPNN-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.51
Rot. Bonds4

About 2-(2-oxobenzo[cd]indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(2-oxobenzo[cd]indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 848348) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(2-oxobenzo[cd]indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxobenzo[cd]indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID848348
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-(2-oxobenzo[cd]indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)NCc1cccnc1
InChIInChI=1S/C19H15N3O2/c23-17(21-11-13-4-3-9-20-10-13)12-22-16-8-2-6-14-5-1-7-15(18(14)16)19(22)24/h1-10H,11-12H2,(H,21,23)
InChIKeySTNUFYASKJIPNN-UHFFFAOYSA-N
XLogP2.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxobenzo[cd]indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-oxobenzo[cd]indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 848348) is 2-(2-oxobenzo[cd]indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-oxobenzo[cd]indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-oxobenzo[cd]indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is O=C(CN1C(=O)c2cccc3cccc1c23)NCc1cccnc1.
What is the InChIKey of 2-(2-oxobenzo[cd]indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is STNUFYASKJIPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-17(21-11-13-4-3-9-20-10-13)12-22-16-8-2-6-14-5-1-7-15(18(14)16)19(22)24/h1-10H,11-12H2,(H,21,23).
What are the key properties of 2-(2-oxobenzo[cd]indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(2-oxobenzo[cd]indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxobenzo[cd]indol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 848348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).