2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide

C11H17N3O2 — CID 106238176

IUPAC2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide
SMILESCc1cccnc1CNCCOCC(N)=O
InChIInChI=1S/C11H17N3O2/c1-9-3-2-4-14-10(9)7-13-5-6-16-8-11(12)15/h2-4,13H,5-8H2,1H3,(H2,12,15)
InChIKeyQYMNHHNAFNHDHI-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.02
Rot. Bonds7

About 2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide

2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide (PubChem CID 106238176) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide
PubChem CID106238176
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide
SMILESCc1cccnc1CNCCOCC(N)=O
InChIInChI=1S/C11H17N3O2/c1-9-3-2-4-14-10(9)7-13-5-6-16-8-11(12)15/h2-4,13H,5-8H2,1H3,(H2,12,15)
InChIKeyQYMNHHNAFNHDHI-UHFFFAOYSA-N
XLogP-0.02
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.02
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide (CID 106238176) is 2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide is Cc1cccnc1CNCCOCC(N)=O.
What is the InChIKey of 2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide?
The InChIKey is QYMNHHNAFNHDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9-3-2-4-14-10(9)7-13-5-6-16-8-11(12)15/h2-4,13H,5-8H2,1H3,(H2,12,15).
What are the key properties of 2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide?
2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide has a molecular weight of 223.28 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106238176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).