(4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate

C13H19N3O3 — CID 79182560

IUPAC(4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate
SMILESCc1ncc(N)cc1C(=O)OCC1CN(C)CCO1
InChIInChI=1S/C13H19N3O3/c1-9-12(5-10(14)6-15-9)13(17)19-8-11-7-16(2)3-4-18-11/h5-6,11H,3-4,7-8,14H2,1-2H3
InChIKeyIJDAMUIMDWWUMU-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.46
Rot. Bonds3

About (4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate

(4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate (PubChem CID 79182560) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate
PubChem CID79182560
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate
SMILESCc1ncc(N)cc1C(=O)OCC1CN(C)CCO1
InChIInChI=1S/C13H19N3O3/c1-9-12(5-10(14)6-15-9)13(17)19-8-11-7-16(2)3-4-18-11/h5-6,11H,3-4,7-8,14H2,1-2H3
InChIKeyIJDAMUIMDWWUMU-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylmorpholin-2-yl)methyl 4-amino-2-methylbenzoate
CID 79182043
(4-methylmorpholin-2-yl)methyl 5-amino-2-chlorobenzoate
CID 79182901
(4-methylmorpholin-2-yl)methyl 5-amino-2-methoxybenzoate
CID 79182993
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate
CID 106955980
(4-methylmorpholin-2-yl)methyl 4-amino-3-methylbenzoate
CID 79182728
(4-methylmorpholin-2-yl)methyl 2-chloro-5-methylsulfonylbenzoate
CID 167944826
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methylamino]benzoate
CID 79071225
(4-methylmorpholin-2-yl)methyl 2-(3-aminophenyl)propanoate
CID 106592454
4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79166940
(4-methylmorpholin-2-yl)methyl 2-(2-aminophenoxy)acetate
CID 79183171
5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 114415689
1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone
CID 79171911

Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate?
The IUPAC name of (4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate (CID 79182560) is (4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate.
What is the SMILES notation for (4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate?
The canonical SMILES for (4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate is Cc1ncc(N)cc1C(=O)OCC1CN(C)CCO1.
What is the InChIKey of (4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate?
The InChIKey is IJDAMUIMDWWUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-12(5-10(14)6-15-9)13(17)19-8-11-7-16(2)3-4-18-11/h5-6,11H,3-4,7-8,14H2,1-2H3.
What are the key properties of (4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate?
(4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl)methyl 5-amino-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 79182560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).