1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one

C17H28N2O4 — CID 169158844

IUPAC1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccnc(NCCOCCOCCOC(C)C)c1
InChIInChI=1S/C17H28N2O4/c1-4-16(20)15-5-6-18-17(13-15)19-7-8-21-9-10-22-11-12-23-14(2)3/h5-6,13-14H,4,7-12H2,1-3H3,(H,18,19)
InChIKeyPBNYWPBJIFBGHS-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.54
Rot. Bonds13

About 1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one

1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one (PubChem CID 169158844) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one
PubChem CID169158844
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccnc(NCCOCCOCCOC(C)C)c1
InChIInChI=1S/C17H28N2O4/c1-4-16(20)15-5-6-18-17(13-15)19-7-8-21-9-10-22-11-12-23-14(2)3/h5-6,13-14H,4,7-12H2,1-3H3,(H,18,19)
InChIKeyPBNYWPBJIFBGHS-UHFFFAOYSA-N
XLogP2.54
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propan-2-yloxybutylamino)pyridine-4-carboxylic acid
CID 106003867
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505
N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide
CID 106015134
2-(3-propoxypropylamino)pyridine-4-carboxylic acid
CID 82943913
2-(methylamino)-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015146
methyl 2-(2-aminoethylamino)pyridine-4-carboxylate
CID 83830934
2-ethyl-6-(2-propan-2-yloxyethylamino)pyridine-4-carboxylic acid
CID 104762163
N-(2-methylbutyl)-2-(propylamino)pyridine-4-carboxamide
CID 62694218
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
CID 68814422
2-(2-methoxyethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109166864

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one?
The IUPAC name of 1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one (CID 169158844) is 1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one?
The canonical SMILES for 1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one is CCC(=O)c1ccnc(NCCOCCOCCOC(C)C)c1.
What is the InChIKey of 1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one?
The InChIKey is PBNYWPBJIFBGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-4-16(20)15-5-6-18-17(13-15)19-7-8-21-9-10-22-11-12-23-14(2)3/h5-6,13-14H,4,7-12H2,1-3H3,(H,18,19).
What are the key properties of 1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one?
1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one has a molecular weight of 324.42 g/mol, XLogP of 2.54, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethylamino]-4-pyridinyl]propan-1-one is sourced from PubChem (CID 169158844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).