2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide

C13H21N3O2 — CID 79775490

IUPAC2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccc(CN)nc1
InChIInChI=1S/C13H21N3O2/c1-3-4-10(2)16-13(17)9-18-12-6-5-11(7-14)15-8-12/h5-6,8,10H,3-4,7,9,14H2,1-2H3,(H,16,17)
InChIKeyLFIKYWYWWALUDU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.22
Rot. Bonds7

About 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide

2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide (PubChem CID 79775490) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide
PubChem CID79775490
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccc(CN)nc1
InChIInChI=1S/C13H21N3O2/c1-3-4-10(2)16-13(17)9-18-12-6-5-11(7-14)15-8-12/h5-6,8,10H,3-4,7,9,14H2,1-2H3,(H,16,17)
InChIKeyLFIKYWYWWALUDU-UHFFFAOYSA-N
XLogP1.22
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-(2-aminobutyl)-3-pyridinyl]oxy]-N-(1-methoxypropan-2-yl)acetamide
CID 79790819
2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide
CID 61489836
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-2-ylacetamide
CID 61490000
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369
2-[[6-(2-aminoethyl)-3-pyridinyl]oxy]-N-(3-methylbutyl)acetamide
CID 79799979
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(2S)-pentan-2-yl]acetamide
CID 7382360
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]-N-methylacetamide
CID 79799713
N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781473
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]acetamide
CID 79800080
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 110834177
3-[2-oxo-2-(pentan-2-ylamino)ethoxy]benzoic acid
CID 43214241

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide (CID 79775490) is 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1ccc(CN)nc1.
What is the InChIKey of 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide?
The InChIKey is LFIKYWYWWALUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-4-10(2)16-13(17)9-18-12-6-5-11(7-14)15-8-12/h5-6,8,10H,3-4,7,9,14H2,1-2H3,(H,16,17).
What are the key properties of 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide?
2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide has a molecular weight of 251.33 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(aminomethyl)-3-pyridinyl]oxy]-N-pentan-2-ylacetamide is sourced from PubChem (CID 79775490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).