methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate

C13H21N3O3 — CID 81062020

IUPACmethyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(N(C)CCOC(C)C)c1N
InChIInChI=1S/C13H21N3O3/c1-9(2)19-8-7-16(3)12-11(14)10(5-6-15-12)13(17)18-4/h5-6,9H,7-8,14H2,1-4H3
InChIKeyXXZYFGLJZNOSKU-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.31
Rot. Bonds6

About methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate

methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate (PubChem CID 81062020) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate
PubChem CID81062020
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(N(C)CCOC(C)C)c1N
InChIInChI=1S/C13H21N3O3/c1-9(2)19-8-7-16(3)12-11(14)10(5-6-15-12)13(17)18-4/h5-6,9H,7-8,14H2,1-4H3
InChIKeyXXZYFGLJZNOSKU-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

3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylic acid
CID 81061551
methyl 3-amino-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-4-carboxylate
CID 106917726
methyl 5-amino-6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylate
CID 114407218
ethyl 3-amino-2-[methyl(2-methylsulfanylethyl)amino]pyridine-4-carboxylate
CID 112663485
3-N-methyl-3-N-(2-propan-2-yloxyethyl)pyrazine-2,3-diamine
CID 103768529
methyl 2-amino-4-fluoro-5-[methyl(2-propan-2-yloxyethyl)amino]benzoate
CID 81062018
5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
CID 137009854
methyl 3-amino-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylate
CID 79309782
5-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxamide
CID 81058266
methyl 3-amino-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyridine-4-carboxylate
CID 79386110
methyl 5-amino-2-[3-hydroxybutyl(methyl)amino]pyridine-3-carboxylate
CID 114047407
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate (CID 81062020) is methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate is COC(=O)c1ccnc(N(C)CCOC(C)C)c1N.
What is the InChIKey of methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate?
The InChIKey is XXZYFGLJZNOSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)19-8-7-16(3)12-11(14)10(5-6-15-12)13(17)18-4/h5-6,9H,7-8,14H2,1-4H3.
What are the key properties of methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate?
methyl 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-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 3-amino-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 81062020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).