2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone

C9H12N2O3 — CID 84666732

IUPAC2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone
SMILESCOc1cc(C(=O)CN)cc(OC)n1
InChIInChI=1S/C9H12N2O3/c1-13-8-3-6(7(12)5-10)4-9(11-8)14-2/h3-4H,5,10H2,1-2H3
InChIKeyLONMKINKUPPDPN-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.24
Rot. Bonds4

About 2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone

2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone (PubChem CID 84666732) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone
PubChem CID84666732
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone
SMILESCOc1cc(C(=O)CN)cc(OC)n1
InChIInChI=1S/C9H12N2O3/c1-13-8-3-6(7(12)5-10)4-9(11-8)14-2/h3-4H,5,10H2,1-2H3
InChIKeyLONMKINKUPPDPN-UHFFFAOYSA-N
XLogP0.24
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 22281599
2-amino-1-(3-bromo-5-methoxyphenyl)ethanone
CID 83720839
2-amino-1-(3-methoxy-4,5-dimethylphenyl)ethanone
CID 117283793
5-(2-aminoacetyl)-2-hydroxy-3-methoxybenzonitrile
CID 117294522
2-methoxy-6-methylpyridine-4-carboxylic acid;hydrochloride
CID 112756430
4-(6-methoxy-4-propanoyl-2-pyridinyl)benzoic acid
CID 123495472
2-amino-1-(2-methoxyquinolin-3-yl)ethanone
CID 90036655
2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
CID 143103207
1-(2-cyclobutyloxy-6-methoxy-4-pyridinyl)-3-(dimethylamino)propan-1-one
CID 130427336
2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone
CID 84704798
2-amino-1-[3,5-difluoro-4-(methoxymethyl)phenyl]ethanone
CID 117306250

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone?
The IUPAC name of 2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone (CID 84666732) is 2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone.
What is the SMILES notation for 2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone?
The canonical SMILES for 2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone is COc1cc(C(=O)CN)cc(OC)n1.
What is the InChIKey of 2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone?
The InChIKey is LONMKINKUPPDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-13-8-3-6(7(12)5-10)4-9(11-8)14-2/h3-4H,5,10H2,1-2H3.
What are the key properties of 2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone?
2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone has a molecular weight of 196.21 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,6-dimethoxy-4-pyridinyl)ethanone is sourced from PubChem (CID 84666732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).