methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate

C13H19N3O3 — CID 106097210

IUPACmethyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(C)(C)CC(N)=O)nc1C
InChIInChI=1S/C13H19N3O3/c1-8-9(12(18)19-4)5-6-11(15-8)16-13(2,3)7-10(14)17/h5-6H,7H2,1-4H3,(H2,14,17)(H,15,16)
InChIKeyQYSGZRGAFRKUMW-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.24
Rot. Bonds5

About methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate

methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate (PubChem CID 106097210) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate
PubChem CID106097210
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(C)(C)CC(N)=O)nc1C
InChIInChI=1S/C13H19N3O3/c1-8-9(12(18)19-4)5-6-11(15-8)16-13(2,3)7-10(14)17/h5-6H,7H2,1-4H3,(H2,14,17)(H,15,16)
InChIKeyQYSGZRGAFRKUMW-UHFFFAOYSA-N
XLogP1.24
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate
CID 106097307
methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate
CID 113457844
methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 103879996
3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098719
3-methyl-3-[(4-methyl-2-pyridinyl)amino]butanamide
CID 106097095
3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098086
methyl 2-methyl-6-propan-2-ylpyridine-3-carboxylate
CID 121218957
3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide
CID 106095681
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098033
methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate
CID 103880124
3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097286
3-methyl-3-[[6-(methylamino)pyrazin-2-yl]amino]butanamide
CID 106098847

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate (CID 106097210) is methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(NC(C)(C)CC(N)=O)nc1C.
What is the InChIKey of methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate?
The InChIKey is QYSGZRGAFRKUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-9(12(18)19-4)5-6-11(15-8)16-13(2,3)7-10(14)17/h5-6H,7H2,1-4H3,(H2,14,17)(H,15,16).
What are the key properties of methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate?
methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 106097210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).