N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid

C17H27N3O6 — CID 655103

IUPACN-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid
SMILESCCc1nc(C)ccc1OCC(=O)NCCCN(C)C.O=C(O)C(=O)O
InChIInChI=1S/C15H25N3O2.C2H2O4/c1-5-13-14(8-7-12(2)17-13)20-11-15(19)16-9-6-10-18(3)4;3-1(4)2(5)6/h7-8H,5-6,9-11H2,1-4H3,(H,16,19);(H,3,4)(H,5,6)
InChIKeyFIGTYBZAGYLMHX-UHFFFAOYSA-N
MW369.42 g/mol
LogP0.55
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid

N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid (PubChem CID 655103) has the molecular formula C17H27N3O6 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid
PubChem CID655103
Molecular FormulaC17H27N3O6
Molecular Weight369.42 g/mol
Exact Mass369.19
IUPAC NameN-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid
SMILESCCc1nc(C)ccc1OCC(=O)NCCCN(C)C.O=C(O)C(=O)O
InChIInChI=1S/C15H25N3O2.C2H2O4/c1-5-13-14(8-7-12(2)17-13)20-11-15(19)16-9-6-10-18(3)4;3-1(4)2(5)6/h7-8H,5-6,9-11H2,1-4H3,(H,16,19);(H,3,4)(H,5,6)
InChIKeyFIGTYBZAGYLMHX-UHFFFAOYSA-N
XLogP0.55
TPSA129.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid (CID 655103) is N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid is CCc1nc(C)ccc1OCC(=O)NCCCN(C)C.O=C(O)C(=O)O.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid?
The InChIKey is FIGTYBZAGYLMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.C2H2O4/c1-5-13-14(8-7-12(2)17-13)20-11-15(19)16-9-6-10-18(3)4;3-1(4)2(5)6/h7-8H,5-6,9-11H2,1-4H3,(H,16,19);(H,3,4)(H,5,6).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid?
N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid has a molecular weight of 369.42 g/mol, XLogP of 0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetamide;oxalic acid is sourced from PubChem (CID 655103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).