ethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate

C14H23N3O5 — CID 68811995

IUPACethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate
SMILESCCOC(=O)CNc1ccc(OC)nc1NCC(OC)OC
InChIInChI=1S/C14H23N3O5/c1-5-22-12(18)8-15-10-6-7-11(19-2)17-14(10)16-9-13(20-3)21-4/h6-7,13,15H,5,8-9H2,1-4H3,(H,16,17)
InChIKeyQWQIDJOYXCNMGY-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.10
Rot. Bonds10

About ethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate

ethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate (PubChem CID 68811995) has the molecular formula C14H23N3O5 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate
PubChem CID68811995
Molecular FormulaC14H23N3O5
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC Nameethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate
SMILESCCOC(=O)CNc1ccc(OC)nc1NCC(OC)OC
InChIInChI=1S/C14H23N3O5/c1-5-22-12(18)8-15-10-6-7-11(19-2)17-14(10)16-9-13(20-3)21-4/h6-7,13,15H,5,8-9H2,1-4H3,(H,16,17)
InChIKeyQWQIDJOYXCNMGY-UHFFFAOYSA-N
XLogP1.10
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate (CID 68811995) is ethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate is CCOC(=O)CNc1ccc(OC)nc1NCC(OC)OC.
What is the InChIKey of ethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate?
The InChIKey is QWQIDJOYXCNMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5/c1-5-22-12(18)8-15-10-6-7-11(19-2)17-14(10)16-9-13(20-3)21-4/h6-7,13,15H,5,8-9H2,1-4H3,(H,16,17).
What are the key properties of ethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate?
ethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate has a molecular weight of 313.35 g/mol, XLogP of 1.10, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate is sourced from PubChem (CID 68811995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).