methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate

C13H21N3O3 — CID 114407218

IUPACmethyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N(C)CCOC(C)C)n1
InChIInChI=1S/C13H21N3O3/c1-9(2)19-8-7-16(3)12-10(14)5-6-11(15-12)13(17)18-4/h5-6,9H,7-8,14H2,1-4H3
InChIKeyFSJKHLWVHJTNHA-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.31
Rot. Bonds6

About methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate

methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate (PubChem CID 114407218) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate
PubChem CID114407218
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N(C)CCOC(C)C)n1
InChIInChI=1S/C13H21N3O3/c1-9(2)19-8-7-16(3)12-10(14)5-6-11(15-12)13(17)18-4/h5-6,9H,7-8,14H2,1-4H3
InChIKeyFSJKHLWVHJTNHA-UHFFFAOYSA-N
XLogP1.31
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate
CID 114405986
methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate
CID 81062020
methyl 5-amino-6-[methyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylate
CID 114405544
methyl 5-amino-6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-2-carboxylate
CID 114406087
methyl 5-amino-6-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyridine-2-carboxylate
CID 114406679
methyl 5-amino-6-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxylate
CID 114405521
methyl 5-amino-6-(4-ethyl-N-methylanilino)pyridine-2-carboxylate
CID 114406277
methyl 5-amino-6-[2-cyanoethyl(2-methylpropyl)amino]pyridine-2-carboxylate
CID 114406141
methyl 5-amino-6-[(5-bromothiophen-3-yl)methyl-methylamino]pyridine-2-carboxylate
CID 114405984
methyl 5-amino-6-[3-(dimethylamino)propoxy]pyridine-2-carboxylate
CID 114408846
methyl 5-amino-6-[methyl(oxan-4-yl)amino]pyridine-2-carboxylate
CID 114405553
methyl 5-amino-6-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylate
CID 114405754

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate (CID 114407218) is methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(N(C)CCOC(C)C)n1.
What is the InChIKey of methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate?
The InChIKey is FSJKHLWVHJTNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)19-8-7-16(3)12-10(14)5-6-11(15-12)13(17)18-4/h5-6,9H,7-8,14H2,1-4H3.
What are the key properties of methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate?
methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.31, 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-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 114407218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).