ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate

C12H19N3O3 — CID 114194899

IUPACethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(N)ncc1N(C)CCOC
InChIInChI=1S/C12H19N3O3/c1-4-18-12(16)9-7-11(13)14-8-10(9)15(2)5-6-17-3/h7-8H,4-6H2,1-3H3,(H2,13,14)
InChIKeyIIBUCQWWQVTDRU-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.92
Rot. Bonds6

About ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate

ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate (PubChem CID 114194899) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate
PubChem CID114194899
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(N)ncc1N(C)CCOC
InChIInChI=1S/C12H19N3O3/c1-4-18-12(16)9-7-11(13)14-8-10(9)15(2)5-6-17-3/h7-8H,4-6H2,1-3H3,(H2,13,14)
InChIKeyIIBUCQWWQVTDRU-UHFFFAOYSA-N
XLogP0.92
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-2-[2-methoxyethyl(methyl)amino]benzoate
CID 61428258
ethyl 2-amino-5-[ethyl(3-hydroxypropyl)amino]pyridine-4-carboxylate
CID 114195355
ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 61455680
ethyl 5-amino-2-[2-(dimethylamino)ethyl-methylamino]benzoate
CID 63701067
ethyl 6-amino-4-(trifluoromethyl)pyridine-3-carboxylate
CID 53404700
methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate
CID 114194852
ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
CID 143274795
ethyl 5-amino-2-[1-methoxypropan-2-yl(methyl)amino]pyridine-3-carboxylate
CID 114047070
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate
CID 83178869
ethyl 5-[[bis(2-methoxyethyl)amino]methyl]-1-methylpyrazole-4-carboxylate
CID 116631873
diethyl pyrimidine-4,5-dicarboxylate
CID 13000769
2-amino-5-chloro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114922590

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate (CID 114194899) is ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate is CCOC(=O)c1cc(N)ncc1N(C)CCOC.
What is the InChIKey of ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate?
The InChIKey is IIBUCQWWQVTDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-18-12(16)9-7-11(13)14-8-10(9)15(2)5-6-17-3/h7-8H,4-6H2,1-3H3,(H2,13,14).
What are the key properties of ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate?
ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114194899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).