3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide

C15H25N3O2 — CID 79784063

IUPAC3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C15H25N3O2/c1-5-16-14(19)8-9-20-13-7-6-12(17-11-13)10-18-15(2,3)4/h6-7,11,18H,5,8-10H2,1-4H3,(H,16,19)
InChIKeyICQQNYNXNAQMCS-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.87
Rot. Bonds7

About 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide

3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide (PubChem CID 79784063) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide
PubChem CID79784063
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C15H25N3O2/c1-5-16-14(19)8-9-20-13-7-6-12(17-11-13)10-18-15(2,3)4/h6-7,11,18H,5,8-10H2,1-4H3,(H,16,19)
InChIKeyICQQNYNXNAQMCS-UHFFFAOYSA-N
XLogP1.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788512
3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698
N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104647123
2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 79788538
2-methyl-N-[[5-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794003
4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 62325269
3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol
CID 114492175
N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 79794973
N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930612
N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 82927537
N-[[5-(2-fluoroethoxy)-2-pyridinyl]methyl]ethanamine
CID 80700229
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79784061

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide?
The IUPAC name of 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide (CID 79784063) is 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide.
What is the SMILES notation for 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide?
The canonical SMILES for 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide is CCNC(=O)CCOc1ccc(CNC(C)(C)C)nc1.
What is the InChIKey of 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide?
The InChIKey is ICQQNYNXNAQMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-16-14(19)8-9-20-13-7-6-12(17-11-13)10-18-15(2,3)4/h6-7,11,18H,5,8-10H2,1-4H3,(H,16,19).
What are the key properties of 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide?
3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide has a molecular weight of 279.38 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide is sourced from PubChem (CID 79784063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).