ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate

C13H20N2O4 — CID 114047587

IUPACethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1OCCOC(C)C
InChIInChI=1S/C13H20N2O4/c1-4-17-13(16)11-7-10(14)8-15-12(11)19-6-5-18-9(2)3/h7-9H,4-6,14H2,1-3H3
InChIKeyFGDDDYQBXHUFCR-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.64
Rot. Bonds7

About ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate

ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate (PubChem CID 114047587) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate
PubChem CID114047587
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Nameethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(N)cnc1OCCOC(C)C
InChIInChI=1S/C13H20N2O4/c1-4-17-13(16)11-7-10(14)8-15-12(11)19-6-5-18-9(2)3/h7-9H,4-6,14H2,1-3H3
InChIKeyFGDDDYQBXHUFCR-UHFFFAOYSA-N
XLogP1.64
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.64
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-amino-5-(2-propan-2-yloxyethoxy)benzoate
CID 61307579
ethyl 5-amino-2-[methyl(pentan-3-yl)amino]pyridine-3-carboxylate
CID 114047032
ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate
CID 114047070
2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate
CID 82930895
5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxamide
CID 115505405
2-propan-2-yloxyethyl 5-amino-2-fluoro-3-methylbenzoate
CID 103297819
ethyl 5-nitro-2-propoxypyridine-3-carboxylate
CID 54001736
5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide
CID 81058266
ethyl 5-amino-2-(3-methylpentan-3-ylamino)pyridine-3-carboxylate
CID 106331106
5-amino-2-[2-(diethylamino)ethoxy]pyridine-3-carboxamide
CID 61358615
ethyl 5-amino-3-methylpyridine-2-carboxylate
CID 118878054
5-amino-2-(4-methylpentan-2-yloxy)pyridine-3-carboxamide
CID 61357443

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate?
The IUPAC name of ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate (CID 114047587) is ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate is CCOC(=O)c1cc(N)cnc1OCCOC(C)C.
What is the InChIKey of ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate?
The InChIKey is FGDDDYQBXHUFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-4-17-13(16)11-7-10(14)8-15-12(11)19-6-5-18-9(2)3/h7-9H,4-6,14H2,1-3H3.
What are the key properties of ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate?
ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(2-propan-2-yloxyethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 114047587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).