methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate

C13H19N3O3 — CID 114405472

IUPACmethyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NC(C)C2CCCO2)n1
InChIInChI=1S/C13H19N3O3/c1-8(11-4-3-7-19-11)15-12-9(14)5-6-10(16-12)13(17)18-2/h5-6,8,11H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyUCOYMPMAULAYBU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.43
Rot. Bonds4

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

methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate (PubChem CID 114405472) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate
PubChem CID114405472
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NC(C)C2CCCO2)n1
InChIInChI=1S/C13H19N3O3/c1-8(11-4-3-7-19-11)15-12-9(14)5-6-10(16-12)13(17)18-2/h5-6,8,11H,3-4,7,14H2,1-2H3,(H,15,16)
InChIKeyUCOYMPMAULAYBU-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

methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate
CID 114405484
methyl 3-amino-2-[1-(oxolan-2-yl)ethylamino]benzoate
CID 112578121
5-nitro-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 114403642
methyl 5-amino-2-[1-(oxolan-2-yl)ethylamino]benzoate
CID 61305536
methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate
CID 35252676
ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate
CID 61305535
4-N-[1-(oxolan-2-yl)ethyl]quinazoline-2,4-diamine
CID 80780771
methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate
CID 114408015
methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate
CID 114406184
methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate
CID 114407610
methyl 5-amino-6-(thian-4-ylamino)pyridine-2-carboxylate
CID 114408034
5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 81316128

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate (CID 114405472) is methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(NC(C)C2CCCO2)n1.
What is the InChIKey of methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate?
The InChIKey is UCOYMPMAULAYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(11-4-3-7-19-11)15-12-9(14)5-6-10(16-12)13(17)18-2/h5-6,8,11H,3-4,7,14H2,1-2H3,(H,15,16).
What are the key properties of methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate?
methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-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 methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate is sourced from PubChem (CID 114405472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).