3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one

C12H13N3O — CID 20515010

IUPAC3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(N)cc1-c1cccnc1
InChIInChI=1S/C12H13N3O/c1-2-11-9(6-10(13)12(16)15-11)8-4-3-5-14-7-8/h3-7H,2,13H2,1H3,(H,15,16)
InChIKeyWMEPMKSZIPJHKV-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.58
Rot. Bonds2

About 3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one

3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one (PubChem CID 20515010) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one
PubChem CID20515010
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(N)cc1-c1cccnc1
InChIInChI=1S/C12H13N3O/c1-2-11-9(6-10(13)12(16)15-11)8-4-3-5-14-7-8/h3-7H,2,13H2,1H3,(H,15,16)
InChIKeyWMEPMKSZIPJHKV-UHFFFAOYSA-N
XLogP1.58
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-6-ethyl-5-(pyridine-2-carbonyl)-1H-pyridin-2-one
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3-(5-ethyl-1H-imidazol-4-yl)pyridine
CID 45120975
6-amino-5-pyridin-3-yl-1H-pyrimidin-2-one
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3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one
CID 20514967
1-(5-ethyl-2-pyridin-3-yl-1H-imidazol-4-yl)propan-1-one
CID 13387933
2,4-dipyridin-3-ylaniline
CID 46316358
5-pyridin-3-yl-1H-pyrimidine-2,4-dione;hydrochloride
CID 155294297
2-methyl-4-pyridin-3-yl-1H-pyrazol-5-one
CID 88992596
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
5-chloro-3-pyridin-3-yl-1H-pyridin-2-one
CID 46315316

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one?
The IUPAC name of 3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one (CID 20515010) is 3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one?
The canonical SMILES for 3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one is CCc1[nH]c(=O)c(N)cc1-c1cccnc1.
What is the InChIKey of 3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one?
The InChIKey is WMEPMKSZIPJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-11-9(6-10(13)12(16)15-11)8-4-3-5-14-7-8/h3-7H,2,13H2,1H3,(H,15,16).
What are the key properties of 3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one?
3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethyl-5-pyridin-3-yl-1H-pyridin-2-one is sourced from PubChem (CID 20515010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).