2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one

C13H17NO2 — CID 59440305

IUPAC2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one
SMILESCC(C)C(=O)c1cncc(C(=O)C(C)C)c1
InChIInChI=1S/C13H17NO2/c1-8(2)12(15)10-5-11(7-14-6-10)13(16)9(3)4/h5-9H,1-4H3
InChIKeyGCDYZSYAQVXETN-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.76
Rot. Bonds4

About 2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one

2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one (PubChem CID 59440305) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one
PubChem CID59440305
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one
SMILESCC(C)C(=O)c1cncc(C(=O)C(C)C)c1
InChIInChI=1S/C13H17NO2/c1-8(2)12(15)10-5-11(7-14-6-10)13(16)9(3)4/h5-9H,1-4H3
InChIKeyGCDYZSYAQVXETN-UHFFFAOYSA-N
XLogP2.76
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-2-methylpropan-1-one
CID 20782622
1-(5-chloro-3-pyridinyl)-2-methylpropan-1-one
CID 131025177
N-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide
CID 162747669
1-(5,6-dichloro-3-pyridinyl)-2-methylpropan-1-one
CID 87574101
pyridine-3,5-dicarbonyl bromide
CID 139466513
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
2-methyl-1-(3,4,5-trihydroxyphenyl)propan-1-one
CID 162169030
2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one
CID 116708503
1-(5-fluoro-3-pyridinyl)-2-methoxy-3-methylbutan-1-one
CID 116708326
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one?
The IUPAC name of 2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one (CID 59440305) is 2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one is CC(C)C(=O)c1cncc(C(=O)C(C)C)c1.
What is the InChIKey of 2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one?
The InChIKey is GCDYZSYAQVXETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8(2)12(15)10-5-11(7-14-6-10)13(16)9(3)4/h5-9H,1-4H3.
What are the key properties of 2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one?
2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(2-methylpropanoyl)-3-pyridinyl]propan-1-one is sourced from PubChem (CID 59440305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).