1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one

C19H19NO2 — CID 143305158

IUPAC1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one
SMILESCc1ccc2oc(CCC(=O)c3ccc(C)nc3C)cc2c1
InChIInChI=1S/C19H19NO2/c1-12-4-9-19-15(10-12)11-16(22-19)6-8-18(21)17-7-5-13(2)20-14(17)3/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyUAIVYSIIAVHNLX-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.57
Rot. Bonds4

About 1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one

1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one (PubChem CID 143305158) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one
PubChem CID143305158
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one
SMILESCc1ccc2oc(CCC(=O)c3ccc(C)nc3C)cc2c1
InChIInChI=1S/C19H19NO2/c1-12-4-9-19-15(10-12)11-16(22-19)6-8-18(21)17-7-5-13(2)20-14(17)3/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyUAIVYSIIAVHNLX-UHFFFAOYSA-N
XLogP4.57
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 82504583
2,2-dimethyl-3-(5-methyl-1-benzofuran-2-yl)propanoic acid
CID 117195137
(5-methyl-1-benzofuran-2-yl)methanethiol
CID 117185273
3-(5-methoxy-1-benzofuran-2-yl)propanoic acid
CID 28909756
1-(2,6-dimethyl-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 105133820
ethyl 3-(5-hydroxy-1-benzofuran-2-yl)propanoate
CID 23074286
1-(2,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one
CID 105077565
ethyl 3-(5-fluoro-1-benzofuran-2-yl)propanoate
CID 114732712
(2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105185391
N-[(5-methyl-1-benzofuran-2-yl)methyl]cyclohexanecarboxamide
CID 166158839
2-fluoro-N-[(5-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
CID 167840729
1-(2,6-dimethyl-3-pyridinyl)-2-(1,3-thiazol-5-yl)ethanone
CID 105126213

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one?
The IUPAC name of 1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one (CID 143305158) is 1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one?
The canonical SMILES for 1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one is Cc1ccc2oc(CCC(=O)c3ccc(C)nc3C)cc2c1.
What is the InChIKey of 1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one?
The InChIKey is UAIVYSIIAVHNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-12-4-9-19-15(10-12)11-16(22-19)6-8-18(21)17-7-5-13(2)20-14(17)3/h4-5,7,9-11H,6,8H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one?
1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one has a molecular weight of 293.37 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-3-pyridinyl)-3-(5-methyl-1-benzofuran-2-yl)propan-1-one is sourced from PubChem (CID 143305158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).