[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone

C12H17N3O2 — CID 62942527

IUPAC[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESCCNc1cc(C(=O)N2CCC(O)C2)ccn1
InChIInChI=1S/C12H17N3O2/c1-2-13-11-7-9(3-5-14-11)12(17)15-6-4-10(16)8-15/h3,5,7,10,16H,2,4,6,8H2,1H3,(H,13,14)
InChIKeyBOAIHDWBJIXXQO-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.72
Rot. Bonds3

About [2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone

[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 62942527) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID62942527
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESCCNc1cc(C(=O)N2CCC(O)C2)ccn1
InChIInChI=1S/C12H17N3O2/c1-2-13-11-7-9(3-5-14-11)12(17)15-6-4-10(16)8-15/h3,5,7,10,16H,2,4,6,8H2,1H3,(H,13,14)
InChIKeyBOAIHDWBJIXXQO-UHFFFAOYSA-N
XLogP0.72
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone
CID 63174668
[2-(ethylamino)-4-pyridinyl]-thiomorpholin-4-ylmethanone
CID 55042424
(2,4-dimethylpiperazin-1-yl)-[2-(ethylamino)-4-pyridinyl]methanone
CID 103738174
[2-(ethylamino)-4-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63614802
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79031539
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
[2-(methylamino)-4-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62181147
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 62942337
[2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83173918
[3-(ethylamino)-4-nitrophenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 62941605
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone (CID 62942527) is [2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone is CCNc1cc(C(=O)N2CCC(O)C2)ccn1.
What is the InChIKey of [2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is BOAIHDWBJIXXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-13-11-7-9(3-5-14-11)12(17)15-6-4-10(16)8-15/h3,5,7,10,16H,2,4,6,8H2,1H3,(H,13,14).
What are the key properties of [2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone?
[2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-4-pyridinyl]-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 62942527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).