methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate

C15H19N3O3 — CID 114406184

IUPACmethyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NC(C)c2cc(C)oc2C)n1
InChIInChI=1S/C15H19N3O3/c1-8-7-11(10(3)21-8)9(2)17-14-12(16)5-6-13(18-14)15(19)20-4/h5-7,9H,16H2,1-4H3,(H,17,18)
InChIKeyUQOIFHDOYRFKDS-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.83
Rot. Bonds4

About methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate

methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate (PubChem CID 114406184) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate
PubChem CID114406184
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namemethyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NC(C)c2cc(C)oc2C)n1
InChIInChI=1S/C15H19N3O3/c1-8-7-11(10(3)21-8)9(2)17-14-12(16)5-6-13(18-14)15(19)20-4/h5-7,9H,16H2,1-4H3,(H,17,18)
InChIKeyUQOIFHDOYRFKDS-UHFFFAOYSA-N
XLogP2.83
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate
CID 114405910
methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate
CID 114405484
methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate
CID 114407610
methyl 5-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2-fluorobenzoate
CID 43715486
methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate
CID 114408015
methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate
CID 114405472
4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine
CID 115000740
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 114406914
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile
CID 103468095
methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
CID 114406962
ethyl 3-[1-(2,5-dimethylfuran-3-yl)ethylamino]benzoate
CID 43321920

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate (CID 114406184) is methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(NC(C)c2cc(C)oc2C)n1.
What is the InChIKey of methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate?
The InChIKey is UQOIFHDOYRFKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-8-7-11(10(3)21-8)9(2)17-14-12(16)5-6-13(18-14)15(19)20-4/h5-7,9H,16H2,1-4H3,(H,17,18).
What are the key properties of methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate?
methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate is sourced from PubChem (CID 114406184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).