[4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C13H19N3O2 — CID 62175903

IUPAC[4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCNc1ccnc(C(=O)N2CCCC2CO)c1
InChIInChI=1S/C13H19N3O2/c1-2-14-10-5-6-15-12(8-10)13(18)16-7-3-4-11(16)9-17/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,14,15)
InChIKeyYBDAOGWZHINXKR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.11
Rot. Bonds4

About [4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

[4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 62175903) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID62175903
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCNc1ccnc(C(=O)N2CCCC2CO)c1
InChIInChI=1S/C13H19N3O2/c1-2-14-10-5-6-15-12(8-10)13(18)16-7-3-4-11(16)9-17/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,14,15)
InChIKeyYBDAOGWZHINXKR-UHFFFAOYSA-N
XLogP1.11
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(ethylamino)-2-pyridinyl]-(3-ethylmorpholin-4-yl)methanone
CID 55047074
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 62479974
[4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109207330
2-azabicyclo[2.2.1]heptan-2-yl-[4-(ethylamino)-2-pyridinyl]methanone
CID 62173507
[4-(dimethylamino)piperidin-1-yl]-[4-(ethylamino)-2-pyridinyl]methanone
CID 62169404
[4-(ethylamino)-2-pyridinyl]-(3-methylmorpholin-4-yl)methanone
CID 62167827
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 62173776
4-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 79311218
[5-(ethylamino)-2-pyridinyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 104641130
[2-(hydroxymethyl)piperidin-1-yl]-[5-(propylamino)-2-pyridinyl]methanone
CID 104640890
[6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637898
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(ethylamino)-2-pyridinyl]methanone
CID 104960428

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 62175903) is [4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is CCNc1ccnc(C(=O)N2CCCC2CO)c1.
What is the InChIKey of [4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is YBDAOGWZHINXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-14-10-5-6-15-12(8-10)13(18)16-7-3-4-11(16)9-17/h5-6,8,11,17H,2-4,7,9H2,1H3,(H,14,15).
What are the key properties of [4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 249.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62175903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).