1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one

C16H18N2O2 — CID 105124233

IUPAC1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
SMILESCCCOc1cncc(C(=O)CCc2cccnc2)c1
InChIInChI=1S/C16H18N2O2/c1-2-8-20-15-9-14(11-18-12-15)16(19)6-5-13-4-3-7-17-10-13/h3-4,7,9-12H,2,5-6,8H2,1H3
InChIKeyVMMJQDDRVCUVMR-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.08
Rot. Bonds7

About 1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one

1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one (PubChem CID 105124233) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
PubChem CID105124233
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
SMILESCCCOc1cncc(C(=O)CCc2cccnc2)c1
InChIInChI=1S/C16H18N2O2/c1-2-8-20-15-9-14(11-18-12-15)16(19)6-5-13-4-3-7-17-10-13/h3-4,7,9-12H,2,5-6,8H2,1H3
InChIKeyVMMJQDDRVCUVMR-UHFFFAOYSA-N
XLogP3.08
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 105124335
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105122781
4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one
CID 106677594
1-(2-propoxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105128590
3-(4-pentoxyphenyl)-1-pyridin-3-ylpropan-1-one
CID 82185385
4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 29175980
(3-bromo-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 113398222
3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one
CID 105080957
1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105113721
(3-amino-2-pyridinyl)-(5-propoxy-3-pyridinyl)methanone
CID 116613749
2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116554859
1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one
CID 105082099

Frequently Asked Questions

What is the IUPAC name of 1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one (CID 105124233) is 1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one is CCCOc1cncc(C(=O)CCc2cccnc2)c1.
What is the InChIKey of 1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is VMMJQDDRVCUVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-8-20-15-9-14(11-18-12-15)16(19)6-5-13-4-3-7-17-10-13/h3-4,7,9-12H,2,5-6,8H2,1H3.
What are the key properties of 1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one?
1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 270.33 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 105124233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).