3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one

C12H13N3O — CID 129448563

IUPAC3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one
SMILESC[C@@H](N)c1ccc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C12H13N3O/c1-8(13)10-2-3-11(15-12(10)16)9-4-6-14-7-5-9/h2-8H,13H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyGBYDBOPSAXQUOD-MRVPVSSYSA-N
MW215.26 g/mol
LogP1.46
Rot. Bonds2

About 3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one

3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one (PubChem CID 129448563) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one
PubChem CID129448563
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one
SMILESC[C@@H](N)c1ccc(-c2ccncc2)[nH]c1=O
InChIInChI=1S/C12H13N3O/c1-8(13)10-2-3-11(15-12(10)16)9-4-6-14-7-5-9/h2-8H,13H2,1H3,(H,15,16)/t8-/m1/s1
InChIKeyGBYDBOPSAXQUOD-MRVPVSSYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R)-1-aminoethyl]-6-propan-2-yl-1H-pyridin-2-one
CID 96689933
ethane;2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxylic acid
CID 91141021
N-[(2S)-3,3-dimethylbutan-2-yl]-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 124559390
3-propan-2-yl-6-pyridin-4-yl-1H-pyrimidine-2,4-dione
CID 122239190
3-(piperidine-1-carbonyl)-6-pyridin-4-yl-1H-pyridin-2-one
CID 129353314
3-phenyl-6-(4-propan-2-ylphenyl)-4-pyridin-4-yl-1H-pyridin-2-one
CID 18467201
N-(cyanomethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 125478368
ethyl 3-cyano-2-oxo-6-pyridin-4-yl-1H-pyridine-4-carboxylate
CID 165453183
N-(2-methoxyethyl)-2-oxo-6-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 129352938
6-(4-methylphenyl)-3-phenyl-4-pyridin-4-yl-1H-pyridin-2-one
CID 18767882
3-(2-hydroxypropan-2-yl)-6-(4-propan-2-ylphenyl)-1H-pyridin-2-one
CID 82520467
3-[(1R)-1-aminoethyl]-1H-pyridin-2-one
CID 55263461

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one?
The IUPAC name of 3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one (CID 129448563) is 3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one is C[C@@H](N)c1ccc(-c2ccncc2)[nH]c1=O.
What is the InChIKey of 3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one?
The InChIKey is GBYDBOPSAXQUOD-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8(13)10-2-3-11(15-12(10)16)9-4-6-14-7-5-9/h2-8H,13H2,1H3,(H,15,16)/t8-/m1/s1.
What are the key properties of 3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one?
3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-aminoethyl]-6-pyridin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 129448563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).