[2-(2-ethoxyanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C18H21N3O2 — CID 649531

IUPAC[2-(2-ethoxyanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccccc1Nc1ncccc1C(=O)N1CCCC1
InChIInChI=1S/C18H21N3O2/c1-2-23-16-10-4-3-9-15(16)20-17-14(8-7-11-19-17)18(22)21-12-5-6-13-21/h3-4,7-11H,2,5-6,12-13H2,1H3,(H,19,20)
InChIKeyJKIPRDZLHILGLX-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.46
Rot. Bonds5

About [2-(2-ethoxyanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[2-(2-ethoxyanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 649531) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID649531
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name[2-(2-ethoxyanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccccc1Nc1ncccc1C(=O)N1CCCC1
InChIInChI=1S/C18H21N3O2/c1-2-23-16-10-4-3-9-15(16)20-17-14(8-7-11-19-17)18(22)21-12-5-6-13-21/h3-4,7-11H,2,5-6,12-13H2,1H3,(H,19,20)
InChIKeyJKIPRDZLHILGLX-UHFFFAOYSA-N
XLogP3.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(2-ethoxyanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 649531) is [2-(2-ethoxyanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(2-ethoxyanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(2-ethoxyanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is CCOc1ccccc1Nc1ncccc1C(=O)N1CCCC1.
What is the InChIKey of [2-(2-ethoxyanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is JKIPRDZLHILGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-23-16-10-4-3-9-15(16)20-17-14(8-7-11-19-17)18(22)21-12-5-6-13-21/h3-4,7-11H,2,5-6,12-13H2,1H3,(H,19,20).
What are the key properties of [2-(2-ethoxyanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-(2-ethoxyanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 311.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 649531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).