N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide

C15H25N3O2 — CID 79783974

IUPACN-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
SMILESCCCNCc1ccc(OC(C)C(=O)NCCC)cn1
InChIInChI=1S/C15H25N3O2/c1-4-8-16-10-13-6-7-14(11-18-13)20-12(3)15(19)17-9-5-2/h6-7,11-12,16H,4-5,8-10H2,1-3H3,(H,17,19)
InChIKeyKXCIVKWXDUTIEG-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.87
Rot. Bonds9

About N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide

N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide (PubChem CID 79783974) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
PubChem CID79783974
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
SMILESCCCNCc1ccc(OC(C)C(=O)NCCC)cn1
InChIInChI=1S/C15H25N3O2/c1-4-8-16-10-13-6-7-14(11-18-13)20-12(3)15(19)17-9-5-2/h6-7,11-12,16H,4-5,8-10H2,1-3H3,(H,17,19)
InChIKeyKXCIVKWXDUTIEG-UHFFFAOYSA-N
XLogP1.87
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
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

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide
CID 79782291
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one
CID 79781284
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-N-(ethylcarbamoyl)propanamide
CID 79782281
N-(3-methylbutyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781473
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]-N-pentan-3-ylpropanamide
CID 79775506
2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]propanoic acid
CID 79776211
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
CID 79782983
2-[4-(aminomethyl)phenoxy]-N-propylpropanamide
CID 43115802
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-methylpropanamide
CID 79799827
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-prop-2-enylpropanamide
CID 79794355
N-(cyclopropylmethyl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781850

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide?
The IUPAC name of N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide (CID 79783974) is N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide?
The canonical SMILES for N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide is CCCNCc1ccc(OC(C)C(=O)NCCC)cn1.
What is the InChIKey of N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide?
The InChIKey is KXCIVKWXDUTIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-8-16-10-13-6-7-14(11-18-13)20-12(3)15(19)17-9-5-2/h6-7,11-12,16H,4-5,8-10H2,1-3H3,(H,17,19).
What are the key properties of N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide?
N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide has a molecular weight of 279.38 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]propanamide is sourced from PubChem (CID 79783974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).