methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate

C13H21N3O2 — CID 114194852

IUPACmethyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1N(C)C(C)C(C)C
InChIInChI=1S/C13H21N3O2/c1-8(2)9(3)16(4)11-7-15-12(14)6-10(11)13(17)18-5/h6-9H,1-5H3,(H2,14,15)
InChIKeyNUQOKPOLXIHLGA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.93
Rot. Bonds4

About methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate

methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate (PubChem CID 114194852) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate
PubChem CID114194852
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namemethyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1N(C)C(C)C(C)C
InChIInChI=1S/C13H21N3O2/c1-8(2)9(3)16(4)11-7-15-12(14)6-10(11)13(17)18-5/h6-9H,1-5H3,(H2,14,15)
InChIKeyNUQOKPOLXIHLGA-UHFFFAOYSA-N
XLogP1.93
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-5-[cyclobutylmethyl(methyl)amino]pyridine-4-carboxylate
CID 114195070
methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate
CID 114195751
2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-carboxylic acid
CID 114194989
ethyl 2-amino-5-[2-methoxyethyl(methyl)amino]pyridine-4-carboxylate
CID 114194899
methyl 2-amino-5-[3-(dimethylamino)propylamino]pyridine-4-carboxylate
CID 114194762
2-amino-5-[methyl(1-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114194969
methyl 6-amino-4-ethoxypyridine-3-carboxylate
CID 155437022
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
methyl 2-amino-5-(3-methylsulfinylbutylamino)pyridine-4-carboxylate
CID 114195371
2-N-methyl-2-N-(3-methylbutan-2-yl)pyrazine-2,5-diamine
CID 80652513
methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate
CID 114195372
methyl 5-amino-2-[methyl(pentan-2-yl)amino]pyridine-4-carboxylate
CID 114090125

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate (CID 114194852) is methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate is COC(=O)c1cc(N)ncc1N(C)C(C)C(C)C.
What is the InChIKey of methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate?
The InChIKey is NUQOKPOLXIHLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)9(3)16(4)11-7-15-12(14)6-10(11)13(17)18-5/h6-9H,1-5H3,(H2,14,15).
What are the key properties of methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate?
methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[methyl(3-methylbutan-2-yl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114194852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).