methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate

C12H19N3O2S — CID 114408015

IUPACmethyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate
SMILESCCSCC(C)Nc1nc(C(=O)OC)ccc1N
InChIInChI=1S/C12H19N3O2S/c1-4-18-7-8(2)14-11-9(13)5-6-10(15-11)12(16)17-3/h5-6,8H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyJHSZNUAELRPEJN-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.00
Rot. Bonds6

About methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate

methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate (PubChem CID 114408015) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate
PubChem CID114408015
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Namemethyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate
SMILESCCSCC(C)Nc1nc(C(=O)OC)ccc1N
InChIInChI=1S/C12H19N3O2S/c1-4-18-7-8(2)14-11-9(13)5-6-10(15-11)12(16)17-3/h5-6,8H,4,7,13H2,1-3H3,(H,14,15)
InChIKeyJHSZNUAELRPEJN-UHFFFAOYSA-N
XLogP2.00
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-5-(1-ethylsulfanylpropan-2-ylamino)benzoate
CID 113499324
methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate
CID 114405484
5-amino-6-(butan-2-ylamino)pyridine-2-carboxamide
CID 114404937
methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate
CID 114407610
5-amino-6-(4-methoxybutan-2-ylamino)pyridine-2-carboxamide
CID 114406795
methyl 5-amino-6-(1-thiophen-2-ylbutylamino)pyridine-2-carboxylate
CID 114405921
methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate
CID 114405910
5-amino-6-(hexan-2-ylamino)pyridine-2-carboxamide
CID 114406333
methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate
CID 114406184
methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate
CID 114405472
methyl 5-amino-6-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 114406704
methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
CID 114406962

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate (CID 114408015) is methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate is CCSCC(C)Nc1nc(C(=O)OC)ccc1N.
What is the InChIKey of methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate?
The InChIKey is JHSZNUAELRPEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-4-18-7-8(2)14-11-9(13)5-6-10(15-11)12(16)17-3/h5-6,8H,4,7,13H2,1-3H3,(H,14,15).
What are the key properties of methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate?
methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate has a molecular weight of 269.37 g/mol, XLogP of 2.00, 6 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-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate is sourced from PubChem (CID 114408015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).