[2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

C15H23N3O — CID 83173918

IUPAC[2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCNc1cc(C(=O)N2C(C)CCC2CC)ccn1
InChIInChI=1S/C15H23N3O/c1-4-13-7-6-11(3)18(13)15(19)12-8-9-17-14(10-12)16-5-2/h8-11,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyWMMOCHYKXVXTJO-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.92
Rot. Bonds4

About [2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone

[2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (PubChem CID 83173918) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
PubChem CID83173918
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
SMILESCCNc1cc(C(=O)N2C(C)CCC2CC)ccn1
InChIInChI=1S/C15H23N3O/c1-4-13-7-6-11(3)18(13)15(19)12-8-9-17-14(10-12)16-5-2/h8-11,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyWMMOCHYKXVXTJO-UHFFFAOYSA-N
XLogP2.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone (CID 83173918) is [2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is CCNc1cc(C(=O)N2C(C)CCC2CC)ccn1.
What is the InChIKey of [2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
The InChIKey is WMMOCHYKXVXTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-13-7-6-11(3)18(13)15(19)12-8-9-17-14(10-12)16-5-2/h8-11,13H,4-7H2,1-3H3,(H,16,17).
What are the key properties of [2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone?
[2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 83173918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).