methyl 5-amino-6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2-carboxylate

C13H19N3O3 — CID 102740382

IUPACmethyl 5-amino-6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(OCCN(C)C2CC2)n1
InChIInChI=1S/C13H19N3O3/c1-16(9-3-4-9)7-8-19-12-10(14)5-6-11(15-12)13(17)18-2/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyNXXMZNOBMALONF-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.92
Rot. Bonds6

About methyl 5-amino-6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2-carboxylate

methyl 5-amino-6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2-carboxylate (PubChem CID 102740382) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 5-amino-6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2-carboxylate
PubChem CID102740382
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 5-amino-6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(OCCN(C)C2CC2)n1
InChIInChI=1S/C13H19N3O3/c1-16(9-3-4-9)7-8-19-12-10(14)5-6-11(15-12)13(17)18-2/h5-6,9H,3-4,7-8,14H2,1-2H3
InChIKeyNXXMZNOBMALONF-UHFFFAOYSA-N
XLogP0.92
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-6-[3-(dimethylamino)propoxy]pyridine-2-carboxylate
CID 114408846
methyl 5-amino-6-(2-hydroxyethoxy)pyridine-2-carboxylate
CID 114408695
methyl 5-amino-6-(3-phenylpropoxy)pyridine-2-carboxylate
CID 114408903
5-amino-6-(2-methoxyethoxy)pyridine-2-carboxamide
CID 114408602
methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate
CID 114405514
methyl 5-amino-6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2-carboxylate
CID 135136562
methyl 5-amino-6-[(1-methylpiperidin-2-yl)methoxy]pyridine-2-carboxylate
CID 114409060
methyl 5-amino-6-(4,4-dimethylcyclohexyl)oxypyridine-2-carboxylate
CID 114409250
6-[2-[cyclopropyl(methyl)amino]ethoxy]-5-nitropyridine-2-carboxylic acid
CID 102739947
methyl 5-amino-6-[(4-bromophenyl)methoxy]pyridine-2-carboxylate
CID 114409174
methyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate
CID 114406547
methyl 5-amino-6-[2-cyanoethyl(cyclopropyl)amino]pyridine-2-carboxylate
CID 114406058

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2-carboxylate (CID 102740382) is methyl 5-amino-6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(OCCN(C)C2CC2)n1.
What is the InChIKey of methyl 5-amino-6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2-carboxylate?
The InChIKey is NXXMZNOBMALONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16(9-3-4-9)7-8-19-12-10(14)5-6-11(15-12)13(17)18-2/h5-6,9H,3-4,7-8,14H2,1-2H3.
What are the key properties of methyl 5-amino-6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2-carboxylate?
methyl 5-amino-6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-2-carboxylate is sourced from PubChem (CID 102740382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).