3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one

C11H14N4O — CID 62101802

IUPAC3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
SMILESCc1nccn1CCn1cccc(N)c1=O
InChIInChI=1S/C11H14N4O/c1-9-13-4-6-14(9)7-8-15-5-2-3-10(12)11(15)16/h2-6H,7-8,12H2,1H3
InChIKeyXTFMPNBORLSSRJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.64
Rot. Bonds3

About 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one

3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one (PubChem CID 62101802) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
PubChem CID62101802
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one
SMILESCc1nccn1CCn1cccc(N)c1=O
InChIInChI=1S/C11H14N4O/c1-9-13-4-6-14(9)7-8-15-5-2-3-10(12)11(15)16/h2-6H,7-8,12H2,1H3
InChIKeyXTFMPNBORLSSRJ-UHFFFAOYSA-N
XLogP0.64
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-amino-1-pentylpyridin-2-one
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1-[2-(2-methylimidazol-1-yl)ethyl]-3,4-dihydro-2H-quinolin-8-amine
CID 61493848
methyl 4-amino-3-[2-(2-methylimidazol-1-yl)ethoxy]benzoate
CID 61493916
3-[2-(2-methylimidazol-1-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione
CID 75399916
3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperazine-2,5-dione
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3-(2-methylimidazol-1-yl)propylhydrazine
CID 123546273
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one (CID 62101802) is 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one is Cc1nccn1CCn1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one?
The InChIKey is XTFMPNBORLSSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-9-13-4-6-14(9)7-8-15-5-2-3-10(12)11(15)16/h2-6H,7-8,12H2,1H3.
What are the key properties of 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one?
3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one has a molecular weight of 218.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(2-methylimidazol-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 62101802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).