2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide

C16H27N3O2 — CID 79790620

IUPAC2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1ccc(CC(C)N)nc1
InChIInChI=1S/C16H27N3O2/c1-6-16(4,5)19-15(20)12(3)21-14-8-7-13(18-10-14)9-11(2)17/h7-8,10-12H,6,9,17H2,1-5H3,(H,19,20)
InChIKeyGYRJKXYVHSPHSR-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.04
Rot. Bonds7

About 2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide

2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 79790620) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide
PubChem CID79790620
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1ccc(CC(C)N)nc1
InChIInChI=1S/C16H27N3O2/c1-6-16(4,5)19-15(20)12(3)21-14-8-7-13(18-10-14)9-11(2)17/h7-8,10-12H,6,9,17H2,1-5H3,(H,19,20)
InChIKeyGYRJKXYVHSPHSR-UHFFFAOYSA-N
XLogP2.04
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide
CID 79800064
2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide
CID 113296492
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]propanamide
CID 79796082
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63367482
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79795592
1-(5-butan-2-yloxy-2-pyridinyl)propan-2-amine
CID 79799813
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
CID 79795171
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]acetamide
CID 79800080
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-methylacetamide
CID 79799713
2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79783476
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-methylpropanamide
CID 79799827
N-carbamoyl-2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]propanamide
CID 79799924

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide (CID 79790620) is 2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Oc1ccc(CC(C)N)nc1.
What is the InChIKey of 2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is GYRJKXYVHSPHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-6-16(4,5)19-15(20)12(3)21-14-8-7-13(18-10-14)9-11(2)17/h7-8,10-12H,6,9,17H2,1-5H3,(H,19,20).
What are the key properties of 2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide?
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 79790620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).