methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate

C12H17N3O2 — CID 114405484

IUPACmethyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NC(C)C2CC2)n1
InChIInChI=1S/C12H17N3O2/c1-7(8-3-4-8)14-11-9(13)5-6-10(15-11)12(16)17-2/h5-8H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyBIQSIQZITOITAX-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.66
Rot. Bonds4

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

methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate (PubChem CID 114405484) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate
PubChem CID114405484
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(NC(C)C2CC2)n1
InChIInChI=1S/C12H17N3O2/c1-7(8-3-4-8)14-11-9(13)5-6-10(15-11)12(16)17-2/h5-8H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyBIQSIQZITOITAX-UHFFFAOYSA-N
XLogP1.66
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-6-[1-(oxolan-2-yl)ethylamino]pyridine-2-carboxylate
CID 114405472
methyl 5-amino-6-(thian-4-ylamino)pyridine-2-carboxylate
CID 114408034
methyl 5-amino-6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pyridine-2-carboxylate
CID 114405910
methyl 5-amino-6-(1-ethylsulfanylpropan-2-ylamino)pyridine-2-carboxylate
CID 114408015
methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
CID 114406962
methyl 5-amino-6-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-2-carboxylate
CID 114407610
methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate
CID 114406184
2-N-(1-cyclopentylethyl)-6-methylpyridine-2,3-diamine
CID 81131400
methyl 5-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylate
CID 114405790
2-N-(1-cyclohexylethyl)-6-methylpyridine-2,3-diamine
CID 81131981
methyl 5-amino-6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-2-carboxylate
CID 114406087
methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
CID 60722799

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate (CID 114405484) is methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(NC(C)C2CC2)n1.
What is the InChIKey of methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate?
The InChIKey is BIQSIQZITOITAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7(8-3-4-8)14-11-9(13)5-6-10(15-11)12(16)17-2/h5-8H,3-4,13H2,1-2H3,(H,14,15).
What are the key properties of methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate?
methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate is sourced from PubChem (CID 114405484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).