ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate

C12H18N4O3 — CID 114090508

IUPACethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(NN2CCOCC2)ncc1N
InChIInChI=1S/C12H18N4O3/c1-2-19-12(17)9-7-11(14-8-10(9)13)15-16-3-5-18-6-4-16/h7-8H,2-6,13H2,1H3,(H,14,15)
InChIKeyHOOQXGPZPLGSGR-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.50
Rot. Bonds4

About ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate

ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate (PubChem CID 114090508) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate
PubChem CID114090508
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nameethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(NN2CCOCC2)ncc1N
InChIInChI=1S/C12H18N4O3/c1-2-19-12(17)9-7-11(14-8-10(9)13)15-16-3-5-18-6-4-16/h7-8H,2-6,13H2,1H3,(H,14,15)
InChIKeyHOOQXGPZPLGSGR-UHFFFAOYSA-N
XLogP0.50
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate
CID 114090606
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate
CID 114090593
2-N-morpholin-4-ylpyridine-2,5-diamine
CID 83005603
ethyl 5-amino-2-[2-(trifluoromethylsulfanyl)ethylamino]pyridine-4-carboxylate
CID 106432611
ethyl 2-amino-4-(2-methoxyethoxy)-5-(2-morpholin-4-ylethoxy)benzoate
CID 11079114
ethyl 6-bromo-1-(2-morpholin-4-ylethyl)-4-oxo-1,7-naphthyridine-3-carboxylate
CID 87918848
ethyl 9-amino-2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-10-carboxylate
CID 138478950
ethyl 2-amino-4-fluoro-5-(3-morpholin-4-ylpropoxy)benzoate
CID 59198226
ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate
CID 67978022
ethyl 4-methyl-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxylate
CID 17121387

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate (CID 114090508) is ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate is CCOC(=O)c1cc(NN2CCOCC2)ncc1N.
What is the InChIKey of ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate?
The InChIKey is HOOQXGPZPLGSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-19-12(17)9-7-11(14-8-10(9)13)15-16-3-5-18-6-4-16/h7-8H,2-6,13H2,1H3,(H,14,15).
What are the key properties of ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate?
ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate is sourced from PubChem (CID 114090508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).