3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one

C14H22N2O2 — CID 116565258

IUPAC3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one
SMILESCCNCC(C)C(=O)c1cncc(OC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-5-15-7-11(4)14(17)12-6-13(9-16-8-12)18-10(2)3/h6,8-11,15H,5,7H2,1-4H3
InChIKeyPLBQZDQZTPVGSX-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.30
Rot. Bonds7

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

3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one (PubChem CID 116565258) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one
PubChem CID116565258
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one
SMILESCCNCC(C)C(=O)c1cncc(OC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-5-15-7-11(4)14(17)12-6-13(9-16-8-12)18-10(2)3/h6,8-11,15H,5,7H2,1-4H3
InChIKeyPLBQZDQZTPVGSX-UHFFFAOYSA-N
XLogP2.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-pyrimidin-5-ylpropan-1-one
CID 116565208
1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
CID 115794638
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116592678
5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
CID 63154540
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607
2-piperidin-4-yl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 116559903
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
2-methoxy-2-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
CID 116751567
5-pentan-2-yloxypyridine-3-carboxylic acid
CID 107890063
7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one
CID 116551477
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-propan-2-yloxypyridine-3-carboxamide
CID 109380782

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one?
The IUPAC name of 3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one (CID 116565258) is 3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one.
What is the SMILES notation for 3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one?
The canonical SMILES for 3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one is CCNCC(C)C(=O)c1cncc(OC(C)C)c1.
What is the InChIKey of 3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one?
The InChIKey is PLBQZDQZTPVGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-15-7-11(4)14(17)12-6-13(9-16-8-12)18-10(2)3/h6,8-11,15H,5,7H2,1-4H3.
What are the key properties of 3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one?
3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one has a molecular weight of 250.34 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)propan-1-one is sourced from PubChem (CID 116565258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).