3-benzoyl-5-pyridin-2-ylindolizine-1-carbonitrile

C21H13N3O — CID 23243003

IUPAC3-benzoyl-5-pyridin-2-ylindolizine-1-carbonitrile
SMILESN#Cc1cc(C(=O)c2ccccc2)n2c(-c3ccccn3)cccc12
InChIInChI=1S/C21H13N3O/c22-14-16-13-20(21(25)15-7-2-1-3-8-15)24-18(16)10-6-11-19(24)17-9-4-5-12-23-17/h1-13H
InChIKeyXMQQWQVQPQHLED-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.10
Rot. Bonds3

About 3-benzoyl-5-pyridin-2-ylindolizine-1-carbonitrile

3-benzoyl-5-pyridin-2-ylindolizine-1-carbonitrile (PubChem CID 23243003) has the molecular formula C21H13N3O and a molecular weight of 323.36 g/mol. Its IUPAC name is 3-benzoyl-5-pyridin-2-ylindolizine-1-carbonitrile.

Molecular Properties

Compound Name3-benzoyl-5-pyridin-2-ylindolizine-1-carbonitrile
PubChem CID23243003
Molecular FormulaC21H13N3O
Molecular Weight323.36 g/mol
Exact Mass323.11
IUPAC Name3-benzoyl-5-pyridin-2-ylindolizine-1-carbonitrile
SMILESN#Cc1cc(C(=O)c2ccccc2)n2c(-c3ccccn3)cccc12
InChIInChI=1S/C21H13N3O/c22-14-16-13-20(21(25)15-7-2-1-3-8-15)24-18(16)10-6-11-19(24)17-9-4-5-12-23-17/h1-13H
InChIKeyXMQQWQVQPQHLED-UHFFFAOYSA-N
XLogP4.10
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-5-pyridin-2-ylindolizine-1-carbonitrile?
The IUPAC name of 3-benzoyl-5-pyridin-2-ylindolizine-1-carbonitrile (CID 23243003) is 3-benzoyl-5-pyridin-2-ylindolizine-1-carbonitrile.
What is the SMILES notation for 3-benzoyl-5-pyridin-2-ylindolizine-1-carbonitrile?
The canonical SMILES for 3-benzoyl-5-pyridin-2-ylindolizine-1-carbonitrile is N#Cc1cc(C(=O)c2ccccc2)n2c(-c3ccccn3)cccc12.
What is the InChIKey of 3-benzoyl-5-pyridin-2-ylindolizine-1-carbonitrile?
The InChIKey is XMQQWQVQPQHLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O/c22-14-16-13-20(21(25)15-7-2-1-3-8-15)24-18(16)10-6-11-19(24)17-9-4-5-12-23-17/h1-13H.
What are the key properties of 3-benzoyl-5-pyridin-2-ylindolizine-1-carbonitrile?
3-benzoyl-5-pyridin-2-ylindolizine-1-carbonitrile has a molecular weight of 323.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-5-pyridin-2-ylindolizine-1-carbonitrile is sourced from PubChem (CID 23243003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).