2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone

C13H19N3O2 — CID 116588194

IUPAC2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
SMILESCCNC1COCC1C(=O)Cc1cccnc1N
InChIInChI=1S/C13H19N3O2/c1-2-15-11-8-18-7-10(11)12(17)6-9-4-3-5-16-13(9)14/h3-5,10-11,15H,2,6-8H2,1H3,(H2,14,16)
InChIKeyPVNQZCOHCFYGNM-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.40
Rot. Bonds5

About 2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone

2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone (PubChem CID 116588194) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
PubChem CID116588194
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
SMILESCCNC1COCC1C(=O)Cc1cccnc1N
InChIInChI=1S/C13H19N3O2/c1-2-15-11-8-18-7-10(11)12(17)6-9-4-3-5-16-13(9)14/h3-5,10-11,15H,2,6-8H2,1H3,(H2,14,16)
InChIKeyPVNQZCOHCFYGNM-UHFFFAOYSA-N
XLogP0.40
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116587940
4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 66257562
1-[4-(propylamino)oxolan-3-yl]-2-pyridin-3-ylethanone
CID 116587805
1-[4-(ethylamino)oxolan-3-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 116588030
[4-(ethylamino)oxolan-3-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116588073
1-[4-(ethylamino)oxolan-3-yl]-2-(1-methylindazol-3-yl)ethanone
CID 116588070
4-(ethylamino)-N-(2-propan-2-yloxy-3-pyridinyl)oxolane-3-carboxamide
CID 66258519
4-[(2-amino-3-pyridinyl)amino]oxolan-3-ol
CID 130688470
2-thiophen-2-ylethyl 4-(ethylamino)oxolane-3-carboxylate
CID 66247933
1-[4-(ethylamino)oxolan-3-yl]-3-methylbutan-1-one
CID 116587978
N-(2,5-dimethylpyrrol-1-yl)-4-(ethylamino)oxolane-3-carboxamide
CID 79100449
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588170

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The IUPAC name of 2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone (CID 116588194) is 2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone is CCNC1COCC1C(=O)Cc1cccnc1N.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
The InChIKey is PVNQZCOHCFYGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-15-11-8-18-7-10(11)12(17)6-9-4-3-5-16-13(9)14/h3-5,10-11,15H,2,6-8H2,1H3,(H2,14,16).
What are the key properties of 2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone?
2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-1-[4-(ethylamino)oxolan-3-yl]ethanone is sourced from PubChem (CID 116588194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).