methyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate

C13H19N3O3 — CID 114405553

IUPACmethyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N(C)C2CCOCC2)n1
InChIInChI=1S/C13H19N3O3/c1-16(9-5-7-19-8-6-9)12-10(14)3-4-11(15-12)13(17)18-2/h3-4,9H,5-8,14H2,1-2H3
InChIKeyMNDGQDZBEDQBPY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.07
Rot. Bonds3

About methyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate

methyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate (PubChem CID 114405553) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate
PubChem CID114405553
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N(C)C2CCOCC2)n1
InChIInChI=1S/C13H19N3O3/c1-16(9-5-7-19-8-6-9)12-10(14)3-4-11(15-12)13(17)18-2/h3-4,9H,5-8,14H2,1-2H3
InChIKeyMNDGQDZBEDQBPY-UHFFFAOYSA-N
XLogP1.07
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(6-Methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
CID 89487516
[1-(6-Methoxycarbonyl-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487801
Ethyl 6-Aminopyridine-2-carboxylate
CID 11959065
Methyl 6-aminopyridine-2-carboxylate
CID 13809143
6-(Morpholin-4-yl)pyridine-2-carboxylic acid
CID 2388921
Methyl 5,6-diamino-2-pyridinecarboxylate
CID 12097747
Ethyl 6-aminopyridine-2-carboxylate hydrochloride
CID 23437674
Tert-butyl 4-(6-(ethoxycarbonyl)pyridin-2-yl)piperazine-1-carboxylate
CID 66545194
Methyl 6-[(3,6-dioxocyclohexa-1,4-dien-1-yl)amino]pyridine-2-carboxylate
CID 118705751
Ethyl 6-(4-benzylpiperazin-1-yl)pyridine-2-carboxylate
CID 66545192
Methyl 5,6-diaminopyridine-2-carboxylate hydrochloride
CID 91654429
Ethyl 6-(methylamino)pyridine-2-carboxylate hydrochloride
CID 155822302

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate (CID 114405553) is methyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(N(C)C2CCOCC2)n1.
What is the InChIKey of methyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate?
The InChIKey is MNDGQDZBEDQBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16(9-5-7-19-8-6-9)12-10(14)3-4-11(15-12)13(17)18-2/h3-4,9H,5-8,14H2,1-2H3.
What are the key properties of methyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate?
methyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 114405553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).