3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one

C18H22N2O3 — CID 24618942

IUPAC3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one
SMILESCC(=O)c1cc(CCC(=O)n2cccc/c2=N\C(C)C)oc1C
InChIInChI=1S/C18H22N2O3/c1-12(2)19-17-7-5-6-10-20(17)18(22)9-8-15-11-16(13(3)21)14(4)23-15/h5-7,10-12H,8-9H2,1-4H3/b19-17+
InChIKeyCUHTXNHBIDHHJW-HTXNQAPBSA-N
MW314.39 g/mol
LogP3.17
Rot. Bonds5

About 3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one

3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one (PubChem CID 24618942) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one
PubChem CID24618942
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one
SMILESCC(=O)c1cc(CCC(=O)n2cccc/c2=N\C(C)C)oc1C
InChIInChI=1S/C18H22N2O3/c1-12(2)19-17-7-5-6-10-20(17)18(22)9-8-15-11-16(13(3)21)14(4)23-15/h5-7,10-12H,8-9H2,1-4H3/b19-17+
InChIKeyCUHTXNHBIDHHJW-HTXNQAPBSA-N
XLogP3.17
TPSA64.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one?
The IUPAC name of 3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one (CID 24618942) is 3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one.
What is the SMILES notation for 3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one?
The canonical SMILES for 3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one is CC(=O)c1cc(CCC(=O)n2cccc/c2=N\C(C)C)oc1C.
What is the InChIKey of 3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one?
The InChIKey is CUHTXNHBIDHHJW-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(2)19-17-7-5-6-10-20(17)18(22)9-8-15-11-16(13(3)21)14(4)23-15/h5-7,10-12H,8-9H2,1-4H3/b19-17+.
What are the key properties of 3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one?
3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one has a molecular weight of 314.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-5-methylfuran-2-yl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one is sourced from PubChem (CID 24618942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).