1-[3-(6-methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one

C13H17N3O2 — CID 128893063

IUPAC1-[3-(6-methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)c2cccc(C)n2)C1
InChIInChI=1S/C13H17N3O2/c1-3-12(17)15-7-8-16(9-15)13(18)11-6-4-5-10(2)14-11/h4-6H,3,7-9H2,1-2H3
InChIKeyPKXAWXPRWORGRN-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.04
Rot. Bonds2

About 1-[3-(6-methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one

1-[3-(6-methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one (PubChem CID 128893063) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[3-(6-methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(6-methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one
PubChem CID128893063
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[3-(6-methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)c2cccc(C)n2)C1
InChIInChI=1S/C13H17N3O2/c1-3-12(17)15-7-8-16(9-15)13(18)11-6-4-5-10(2)14-11/h4-6H,3,7-9H2,1-2H3
InChIKeyPKXAWXPRWORGRN-UHFFFAOYSA-N
XLogP1.04
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(6-methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one (CID 128893063) is 1-[3-(6-methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(6-methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(6-methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one is CCC(=O)N1CCN(C(=O)c2cccc(C)n2)C1.
What is the InChIKey of 1-[3-(6-methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one?
The InChIKey is PKXAWXPRWORGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-12(17)15-7-8-16(9-15)13(18)11-6-4-5-10(2)14-11/h4-6H,3,7-9H2,1-2H3.
What are the key properties of 1-[3-(6-methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one?
1-[3-(6-methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one has a molecular weight of 247.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methylpyridine-2-carbonyl)imidazolidin-1-yl]propan-1-one is sourced from PubChem (CID 128893063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).