3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide

C13H19N3O2 — CID 79781169

IUPAC3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(CNC2CC2)nc1
InChIInChI=1S/C13H19N3O2/c1-14-13(17)6-7-18-12-5-4-11(16-9-12)8-15-10-2-3-10/h4-5,9-10,15H,2-3,6-8H2,1H3,(H,14,17)
InChIKeyLODJUNDSEDNSAT-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.85
Rot. Bonds7

About 3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide

3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide (PubChem CID 79781169) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide
PubChem CID79781169
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide
SMILESCNC(=O)CCOc1ccc(CNC2CC2)nc1
InChIInChI=1S/C13H19N3O2/c1-14-13(17)6-7-18-12-5-4-11(16-9-12)8-15-10-2-3-10/h4-5,9-10,15H,2-3,6-8H2,1H3,(H,14,17)
InChIKeyLODJUNDSEDNSAT-UHFFFAOYSA-N
XLogP0.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethoxy]ethanol
CID 79781914
N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79784048
N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783246
N-cyclopropyl-3-[[6-[(2-methylpropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79788776
N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783844
N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783048
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanoate
CID 79783450
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate
CID 79781152
1-[2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]ethyl]pyridin-2-one
CID 82898570
N-carbamoyl-2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]propanamide
CID 79781513
3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide
CID 79784063

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide?
The IUPAC name of 3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide (CID 79781169) is 3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide.
What is the SMILES notation for 3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide?
The canonical SMILES for 3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide is CNC(=O)CCOc1ccc(CNC2CC2)nc1.
What is the InChIKey of 3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide?
The InChIKey is LODJUNDSEDNSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-14-13(17)6-7-18-12-5-4-11(16-9-12)8-15-10-2-3-10/h4-5,9-10,15H,2-3,6-8H2,1H3,(H,14,17).
What are the key properties of 3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide?
3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide has a molecular weight of 249.31 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]-N-methylpropanamide is sourced from PubChem (CID 79781169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).