3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane

C13H22N2O — CID 144799349

IUPAC3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane
SMILESCC.Cc1ccc(C(=O)CCN(C)C)nc1
InChIInChI=1S/C11H16N2O.C2H6/c1-9-4-5-10(12-8-9)11(14)6-7-13(2)3;1-2/h4-5,8H,6-7H2,1-3H3;1-2H3
InChIKeyKBTXKDIWVCDGJX-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.55
Rot. Bonds4

About 3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane

3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane (PubChem CID 144799349) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane.

Molecular Properties

Compound Name3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane
PubChem CID144799349
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane
SMILESCC.Cc1ccc(C(=O)CCN(C)C)nc1
InChIInChI=1S/C11H16N2O.C2H6/c1-9-4-5-10(12-8-9)11(14)6-7-13(2)3;1-2/h4-5,8H,6-7H2,1-3H3;1-2H3
InChIKeyKBTXKDIWVCDGJX-UHFFFAOYSA-N
XLogP2.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dipropylamino)-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126686
3-[cyclopropyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83126542
sodium;hydride;5-methylpyridine-2-carboxylic acid
CID 173118814
sodium 5-methylpyridine-2-carboxylate
CID 23707755
1-(5-fluoro-2-pyridinyl)-3-[methyl(3-methylbutan-2-yl)amino]propan-1-one
CID 83126762
5-[2-(dimethylamino)ethylamino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109185535
3-[cyclopropylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125838
3-[cyclohexyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
CID 83125834
2-(cyclopenten-1-yl)-1-(5-methyl-2-pyridinyl)ethanone
CID 130917901
3-(dimethylamino)-1-(2,6-dimethyl-4-pyridinyl)propan-1-one
CID 130407441
N,5-dimethyl-N-[4-[methyl(3-methylbutyl)amino]butan-2-yl]pyridine-2-carboxamide
CID 143233524
1-(5-fluoro-2-pyridinyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 83110514

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane?
The IUPAC name of 3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane (CID 144799349) is 3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane.
What is the SMILES notation for 3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane?
The canonical SMILES for 3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane is CC.Cc1ccc(C(=O)CCN(C)C)nc1.
What is the InChIKey of 3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane?
The InChIKey is KBTXKDIWVCDGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C2H6/c1-9-4-5-10(12-8-9)11(14)6-7-13(2)3;1-2/h4-5,8H,6-7H2,1-3H3;1-2H3.
What are the key properties of 3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane?
3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane has a molecular weight of 222.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(5-methyl-2-pyridinyl)propan-1-one;ethane is sourced from PubChem (CID 144799349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).