methyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate

C13H20N2O2S — CID 115899359

IUPACmethyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate
SMILESCCC(CSC)Nc1ccc(C(=O)OC)c(C)n1
InChIInChI=1S/C13H20N2O2S/c1-5-10(8-18-4)15-12-7-6-11(9(2)14-12)13(16)17-3/h6-7,10H,5,8H2,1-4H3,(H,14,15)
InChIKeyYWQLXOKRVRCHBM-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.73
Rot. Bonds6

About methyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate

methyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate (PubChem CID 115899359) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is methyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate
PubChem CID115899359
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namemethyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate
SMILESCCC(CSC)Nc1ccc(C(=O)OC)c(C)n1
InChIInChI=1S/C13H20N2O2S/c1-5-10(8-18-4)15-12-7-6-11(9(2)14-12)13(16)17-3/h6-7,10H,5,8H2,1-4H3,(H,14,15)
InChIKeyYWQLXOKRVRCHBM-UHFFFAOYSA-N
XLogP2.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(3,3-dimethylbutan-2-ylamino)-2-methylpyridine-3-carboxylate
CID 113457844
methyl 6-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-methylpyridine-3-carboxylate
CID 103111674
methyl 6-[(3-ethyl-2-hydroxypentyl)amino]-2-methylpyridine-3-carboxylate
CID 103880124
methyl 2-methyl-6-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]pyridine-3-carboxylate
CID 133421565
6-ethoxy-2-N-(1-methylsulfanylbutan-2-yl)pyridine-2,5-diamine
CID 113494426
5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 115899298
methyl 2-methyl-6-propan-2-ylpyridine-3-carboxylate
CID 121218957
methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate
CID 106097210
5-[(5-methoxycarbonyl-6-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 82683374
methyl 6-[(3-ethoxycyclobutyl)amino]-2-methylpyridine-3-carboxylate
CID 102609129
methyl 2-methyl-6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylate
CID 103879996
methyl 6-(cyclopent-3-en-1-ylamino)-2-methylpyridine-3-carboxylate
CID 115875701

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate (CID 115899359) is methyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate is CCC(CSC)Nc1ccc(C(=O)OC)c(C)n1.
What is the InChIKey of methyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate?
The InChIKey is YWQLXOKRVRCHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-5-10(8-18-4)15-12-7-6-11(9(2)14-12)13(16)17-3/h6-7,10H,5,8H2,1-4H3,(H,14,15).
What are the key properties of methyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate?
methyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 115899359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).