ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate

C12H17N3O3 — CID 114194649

IUPACethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(N)ncc1N1CCOCC1
InChIInChI=1S/C12H17N3O3/c1-2-18-12(16)9-7-11(13)14-8-10(9)15-3-5-17-6-4-15/h7-8H,2-6H2,1H3,(H2,13,14)
InChIKeyMIJYDUHHAJIZCU-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.68
Rot. Bonds3

About ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate

ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate (PubChem CID 114194649) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
PubChem CID114194649
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(N)ncc1N1CCOCC1
InChIInChI=1S/C12H17N3O3/c1-2-18-12(16)9-7-11(13)14-8-10(9)15-3-5-17-6-4-15/h7-8H,2-6H2,1H3,(H2,13,14)
InChIKeyMIJYDUHHAJIZCU-UHFFFAOYSA-N
XLogP0.68
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate
CID 67978022
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate
CID 126483070
ethane;2-methyl-5-morpholin-4-ylpyridine-4-carboxylic acid
CID 170730921
ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate
CID 114090508
ethyl 5-[(3,4-dimethylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 4903199
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
ethyl 5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 4728026
ethyl 5-[(4-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328776
ethyl 2,5-dimethyl-1-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxylate
CID 20930637
ethyl 1-ethyl-7-ethylsulfonyl-6-morpholin-4-yl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 14287951
ethyl 5-[[2-(3,5-dimethylphenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328773

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate?
The IUPAC name of ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate (CID 114194649) is ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate?
The canonical SMILES for ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate is CCOC(=O)c1cc(N)ncc1N1CCOCC1.
What is the InChIKey of ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate?
The InChIKey is MIJYDUHHAJIZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-18-12(16)9-7-11(13)14-8-10(9)15-3-5-17-6-4-15/h7-8H,2-6H2,1H3,(H2,13,14).
What are the key properties of ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate?
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate is sourced from PubChem (CID 114194649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).