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'}

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

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Related Compounds

6-Methoxy-2-methylamino-3-aminopyridine dihydrochloride
CID 5743759
6-methoxy-2-N-methylpyridine-2,3-diamine
CID 5743760
N-[2-Methoxy-6-(4-methylpiperazin-1-yl)pyridin-3-yl]prop-2-enamide
CID 137931039
2-Methoxy-6-(morpholin-4-yl)pyridin-3-amine
CID 12152132
N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]acetamide
CID 52845163
2-[2-[(6-Methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2826401
2-[2-[(6-Methoxy-2-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 2826403
N-(2,2-Dimethyl-1,3-dioxan-5-yl)-6-methoxy-3-nitropyridin-2-amine
CID 58001746
4-(2,2-dimethyl-1,3-dioxan-5-yl)-6-methoxy-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one
CID 58001769
Ethyl (2-((2,2-dimethyl-1,3-dioxan-5-yl)amino)-6-methoxypyridin-3-yl)glycinate
CID 58001797
N2-(2,2-Dimethyl-1,3-dioxan-5-yl)-6-methoxypyridine-2,3-diamine
CID 58001800
2-(6-Methoxy-3-nitro-2-pyridylamino)ethanol
CID 3023915

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).