[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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Related Compounds

(2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
CID 83222002
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 104968822
(2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone
CID 103738174
[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62942527
[2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 55042424
(6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83135395
[3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone
CID 63174668
(6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83221125
N-cyclopentyl-2-(ethylamino)pyridine-4-carboxamide
CID 62173243
(3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone
CID 97256072
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(propylamino)-4-pyridinyl]methanone
CID 63769851
(2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376681

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).