ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate

C13H19N3O3 — CID 114090606

IUPACethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(NC2(C)CCOC2)ncc1N
InChIInChI=1S/C13H19N3O3/c1-3-19-12(17)9-6-11(15-7-10(9)14)16-13(2)4-5-18-8-13/h6-7H,3-5,8,14H2,1-2H3,(H,15,16)
InChIKeyGTWFEJOPKKHJCP-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.43
Rot. Bonds4

About ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate

ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate (PubChem CID 114090606) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate
PubChem CID114090606
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(NC2(C)CCOC2)ncc1N
InChIInChI=1S/C13H19N3O3/c1-3-19-12(17)9-6-11(15-7-10(9)14)16-13(2)4-5-18-8-13/h6-7H,3-5,8,14H2,1-2H3,(H,15,16)
InChIKeyGTWFEJOPKKHJCP-UHFFFAOYSA-N
XLogP1.43
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-2-(morpholin-4-ylamino)pyridine-4-carboxylate
CID 114090508
ethyl 6-[(4-methyloxan-4-yl)amino]pyridine-3-carboxylate
CID 114075090
ethyl 5-amino-2-(2-ethoxypropylamino)pyridine-4-carboxylate
CID 114090593
CID 174042248
CID 174042248
methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate
CID 114195372
ethyl 5-amino-2-[2-(trifluoromethylsulfanyl)ethylamino]pyridine-4-carboxylate
CID 106432611
2-N-(3-methyloxolan-3-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 113481908
ethyl 4-amino-2-(4-ethoxyoxan-4-yl)pyrimidine-5-carboxylate
CID 116782896
ethyl 2-[(3-methoxyoxolan-3-yl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 104705516
ethyl 9-amino-2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-10-carboxylate
CID 138478950
4-amino-6-methyl-N-(4-methyloxan-4-yl)pyridine-3-carboxamide
CID 113491311
ethyl 4-amino-3-[(3-methoxyoxolan-3-yl)methylamino]benzoate
CID 104765070

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate (CID 114090606) is ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate is CCOC(=O)c1cc(NC2(C)CCOC2)ncc1N.
What is the InChIKey of ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate?
The InChIKey is GTWFEJOPKKHJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-19-12(17)9-6-11(15-7-10(9)14)16-13(2)4-5-18-8-13/h6-7H,3-5,8,14H2,1-2H3,(H,15,16).
What are the key properties of ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate?
ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-[(3-methyloxolan-3-yl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114090606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).