1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one

C16H25NO2 — CID 115794638

IUPAC1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1cncc(OC(C)C)c1
InChIInChI=1S/C16H25NO2/c1-5-7-13(8-6-2)16(18)14-9-15(11-17-10-14)19-12(3)4/h9-13H,5-8H2,1-4H3
InChIKeyYZZOPQVMGRCXGM-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.27
Rot. Bonds8

About 1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one

1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one (PubChem CID 115794638) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one.

Molecular Properties

Compound Name1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
PubChem CID115794638
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)c1cncc(OC(C)C)c1
InChIInChI=1S/C16H25NO2/c1-5-7-13(8-6-2)16(18)14-9-15(11-17-10-14)19-12(3)4/h9-13H,5-8H2,1-4H3
InChIKeyYZZOPQVMGRCXGM-UHFFFAOYSA-N
XLogP4.27
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885
3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one
CID 116565258
5-pentan-2-yloxypyridine-3-carboxylic acid
CID 107890063
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116592678
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
2-propyl-1-pyrimidin-5-ylpentan-1-one
CID 114965876
2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one
CID 116574589
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607
2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 116751567
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one
CID 116551477
(5-methylfuran-3-yl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794614

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one?
The IUPAC name of 1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one (CID 115794638) is 1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one.
What is the SMILES notation for 1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one?
The canonical SMILES for 1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one is CCCC(CCC)C(=O)c1cncc(OC(C)C)c1.
What is the InChIKey of 1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one?
The InChIKey is YZZOPQVMGRCXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-7-13(8-6-2)16(18)14-9-15(11-17-10-14)19-12(3)4/h9-13H,5-8H2,1-4H3.
What are the key properties of 1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one?
1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one has a molecular weight of 263.38 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one is sourced from PubChem (CID 115794638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).