2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone

C9H12N2O — CID 82596607

IUPAC2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone
SMILESCNCC(=O)c1ccc(C)nc1
InChIInChI=1S/C9H12N2O/c1-7-3-4-8(5-11-7)9(12)6-10-2/h3-5,10H,6H2,1-2H3
InChIKeyZNTVOHUNFOZXOR-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.79
Rot. Bonds3

About 2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone

2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone (PubChem CID 82596607) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone
PubChem CID82596607
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone
SMILESCNCC(=O)c1ccc(C)nc1
InChIInChI=1S/C9H12N2O/c1-7-3-4-8(5-11-7)9(12)6-10-2/h3-5,10H,6H2,1-2H3
InChIKeyZNTVOHUNFOZXOR-UHFFFAOYSA-N
XLogP0.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-ethyl-3-pyridinyl)-2-(methylamino)ethanone
CID 83827922
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
6-methyl-N-phenacylpyridine-3-carboxamide
CID 64991652
1-(6-chloro-3-pyridinyl)-4-(6-methyl-3-pyridinyl)butane-1,4-dione
CID 90363391
2-methyl-4-(6-methyl-3-pyridinyl)-4-oxobutanoic acid
CID 104823190
1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
3-(cyclopropylamino)-1-(6-methyl-3-pyridinyl)propan-1-one
CID 116559219
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-one
CID 105098804
[2-[2-(methylamino)ethyl]phenyl]-(6-methyl-3-pyridinyl)methanone
CID 116613160
2-(6-methyl-3-pyridinyl)-2-oxoacetamide
CID 57047401
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methylpyridine-3-carboxamide
CID 107846996

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone (CID 82596607) is 2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone is CNCC(=O)c1ccc(C)nc1.
What is the InChIKey of 2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone?
The InChIKey is ZNTVOHUNFOZXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-3-4-8(5-11-7)9(12)6-10-2/h3-5,10H,6H2,1-2H3.
What are the key properties of 2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone?
2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone has a molecular weight of 164.21 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 82596607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).