1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride

C9H14Cl2N2O2 — CID 135349233

IUPAC1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride
SMILESCNCC(=O)c1cccc(OC)n1.Cl.Cl
InChIInChI=1S/C9H12N2O2.2ClH/c1-10-6-8(12)7-4-3-5-9(11-7)13-2;;/h3-5,10H,6H2,1-2H3;2*1H
InChIKeyNHZHKOIJYPQNTJ-UHFFFAOYSA-N
MW253.13 g/mol
LogP1.34
Rot. Bonds4

About 1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride

1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride (PubChem CID 135349233) has the molecular formula C9H14Cl2N2O2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride.

Molecular Properties

Compound Name1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride
PubChem CID135349233
Molecular FormulaC9H14Cl2N2O2
Molecular Weight253.13 g/mol
Exact Mass252.04
IUPAC Name1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride
SMILESCNCC(=O)c1cccc(OC)n1.Cl.Cl
InChIInChI=1S/C9H12N2O2.2ClH/c1-10-6-8(12)7-4-3-5-9(11-7)13-2;;/h3-5,10H,6H2,1-2H3;2*1H
InChIKeyNHZHKOIJYPQNTJ-UHFFFAOYSA-N
XLogP1.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione
CID 156773654
6-methoxypyridine-2-carboxamide;hydrochloride
CID 172737528
6-methoxypyridine-2-carbonyl chloride
CID 86688296
4-(6-methoxy-2-pyridinyl)-4-oxobutanenitrile
CID 103347923
6-methoxy-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 84581499
N-butan-2-yl-6-methoxypyridine-2-carboxamide
CID 110848498
6-methoxy-N-naphthalen-1-ylpyridine-2-carboxamide
CID 84580589
1-(6-methoxy-2-pyridinyl)-2-methylpentane-1,4-dione
CID 103347929
6-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 84581484
1-(5-methoxy-6-methylpyrazin-2-yl)-2-(methylamino)ethanone
CID 83830935
6-methoxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 110856921
N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2-carboxamide
CID 110851400

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride?
The IUPAC name of 1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride (CID 135349233) is 1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride.
What is the SMILES notation for 1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride?
The canonical SMILES for 1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride is CNCC(=O)c1cccc(OC)n1.Cl.Cl.
What is the InChIKey of 1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride?
The InChIKey is NHZHKOIJYPQNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.2ClH/c1-10-6-8(12)7-4-3-5-9(11-7)13-2;;/h3-5,10H,6H2,1-2H3;2*1H.
What are the key properties of 1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride?
1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride has a molecular weight of 253.13 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride is sourced from PubChem (CID 135349233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).