methyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate

C14H21N3O3 — CID 133421565

IUPACmethyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate
SMILESCNC(=O)C(Nc1ccc(C(=O)OC)c(C)n1)C(C)C
InChIInChI=1S/C14H21N3O3/c1-8(2)12(13(18)15-4)17-11-7-6-10(9(3)16-11)14(19)20-5/h6-8,12H,1-5H3,(H,15,18)(H,16,17)
InChIKeyMSJMWJFFKXAHSJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.36
Rot. Bonds5

About methyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate

methyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate (PubChem CID 133421565) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate
PubChem CID133421565
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate
SMILESCNC(=O)C(Nc1ccc(C(=O)OC)c(C)n1)C(C)C
InChIInChI=1S/C14H21N3O3/c1-8(2)12(13(18)15-4)17-11-7-6-10(9(3)16-11)14(19)20-5/h6-8,12H,1-5H3,(H,15,18)(H,16,17)
InChIKeyMSJMWJFFKXAHSJ-UHFFFAOYSA-N
XLogP1.36
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate
CID 113457844
methyl 2-methyl-6-propan-2-ylpyridine-3-carboxylate
CID 121218957
methyl 6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylpyridine-3-carboxylate
CID 103111674
methyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate
CID 115899359
methyl 6-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]-2-methylpyridine-3-carboxylate
CID 133431834
2-methyl-6-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79885614
5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 82683374
methyl 6-(cyclopent-3-en-1-ylamino)-2-methylpyridine-3-carboxylate
CID 115875701
methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate
CID 103880124
6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133388134
2-[(1-chloroisoquinolin-3-yl)amino]-N,3-dimethylbutanamide
CID 133388133
methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate
CID 106097210

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate (CID 133421565) is methyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate is CNC(=O)C(Nc1ccc(C(=O)OC)c(C)n1)C(C)C.
What is the InChIKey of methyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate?
The InChIKey is MSJMWJFFKXAHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8(2)12(13(18)15-4)17-11-7-6-10(9(3)16-11)14(19)20-5/h6-8,12H,1-5H3,(H,15,18)(H,16,17).
What are the key properties of methyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate?
methyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 133421565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).