ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate

C13H18N2O5 — CID 108731992

IUPACethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)COCCOC)c1
InChIInChI=1S/C13H18N2O5/c1-3-20-13(17)10-4-5-14-11(8-10)15-12(16)9-19-7-6-18-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,15,16)
InChIKeyGAQJCBFWEBNUBC-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.86
Rot. Bonds8

About ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate

ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate (PubChem CID 108731992) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate
PubChem CID108731992
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Nameethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(NC(=O)COCCOC)c1
InChIInChI=1S/C13H18N2O5/c1-3-20-13(17)10-4-5-14-11(8-10)15-12(16)9-19-7-6-18-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,15,16)
InChIKeyGAQJCBFWEBNUBC-UHFFFAOYSA-N
XLogP0.86
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.86
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

ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
CID 108755443
ethyl 2-[[2-(2,5-dichlorophenoxy)acetyl]amino]pyridine-4-carboxylate
CID 108755549
ethyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 108731954
ethyl 2-[[2-(2-prop-2-enoxyphenoxy)acetyl]amino]pyridine-4-carboxylate
CID 108755554
ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
CID 108755424
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
ethyl 2-[(4-acetyloxybenzoyl)amino]pyridine-4-carboxylate
CID 108731941
ethyl 2-[[2-(1-adamantyl)acetyl]amino]pyridine-4-carboxylate
CID 108755461
ethyl 2-[(6-phenylpyridazin-3-yl)amino]pyridine-4-carboxylate
CID 108773574
ethyl 4-[[4-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109166844
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
CID 122383458
ethyl 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]pyridine-4-carboxylate
CID 108773601

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate (CID 108731992) is ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate is CCOC(=O)c1ccnc(NC(=O)COCCOC)c1.
What is the InChIKey of ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate?
The InChIKey is GAQJCBFWEBNUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-3-20-13(17)10-4-5-14-11(8-10)15-12(16)9-19-7-6-18-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,14,15,16).
What are the key properties of ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate?
ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-methoxyethoxy)acetyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 108731992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).