2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide

C15H21N3O2 — CID 79795171

IUPAC2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(CC(N)CC)nc1
InChIInChI=1S/C15H21N3O2/c1-4-8-17-15(19)11(3)20-14-7-6-13(18-10-14)9-12(16)5-2/h1,6-7,10-12H,5,8-9,16H2,2-3H3,(H,17,19)
InChIKeyUTOPQXMQRAJOMY-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.88
Rot. Bonds7

About 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide

2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide (PubChem CID 79795171) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
PubChem CID79795171
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)Oc1ccc(CC(N)CC)nc1
InChIInChI=1S/C15H21N3O2/c1-4-8-17-15(19)11(3)20-14-7-6-13(18-10-14)9-12(16)5-2/h1,6-7,10-12H,5,8-9,16H2,2-3H3,(H,17,19)
InChIKeyUTOPQXMQRAJOMY-UHFFFAOYSA-N
XLogP0.88
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79795592
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N,N-dimethylpropanamide
CID 79795923
2-[2-(2-aminobutyl)-3-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 114322096
2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide
CID 63326039
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-(2-methylbutan-2-yl)propanamide
CID 79790620
2-[4-(2-aminobutyl)-2-fluorophenoxy]-N-prop-2-ynylpropanamide
CID 107693370
2-[4-(2-hydroxypropyl)phenoxy]-N-prop-2-ynylpropanamide
CID 115495948
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]butanenitrile
CID 79795412
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]-N-pentan-3-ylpropanamide
CID 79775506
2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-ynylpropanamide
CID 60889158
N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79783974
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]propanamide
CID 79796082

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide (CID 79795171) is 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)Oc1ccc(CC(N)CC)nc1.
What is the InChIKey of 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide?
The InChIKey is UTOPQXMQRAJOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-8-17-15(19)11(3)20-14-7-6-13(18-10-14)9-12(16)5-2/h1,6-7,10-12H,5,8-9,16H2,2-3H3,(H,17,19).
What are the key properties of 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide?
2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 79795171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).