methyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate

C14H14N2O2S — CID 134858703

IUPACmethyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1c(SC)cc(-c2ccccc2)nc1N
InChIInChI=1S/C14H14N2O2S/c1-18-14(17)12-11(19-2)8-10(16-13(12)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,15,16)
InChIKeyREXXTUUPMRMIOS-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.84
Rot. Bonds3

About methyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate

methyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate (PubChem CID 134858703) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is methyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate
PubChem CID134858703
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Namemethyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate
SMILESCOC(=O)c1c(SC)cc(-c2ccccc2)nc1N
InChIInChI=1S/C14H14N2O2S/c1-18-14(17)12-11(19-2)8-10(16-13(12)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,15,16)
InChIKeyREXXTUUPMRMIOS-UHFFFAOYSA-N
XLogP2.84
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methylsulfanyl-2-oxo-6-phenylpyran-3-carboxylate
CID 14000272
methyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 12784958
methyl 3-methyl-6-phenylpyridine-2-carboxylate
CID 118174962
ethyl 2-amino-6-phenylpyridine-3-carboxylate
CID 1236695
methyl 6-amino-4-phenylpyridine-2-carboxylate
CID 133098299
methyl 5-methylsulfanyl-4-(6-phenyl-2-pyridinyl)thiophene-2-carboxylate
CID 18536958
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
2-methoxycarbonyl-3-methylsulfanylbenzoic acid
CID 91880800
2-methoxy-6-phenylpyrimidin-4-amine
CID 83848071
methyl 5-[3,5-bis(4-methoxycarbonyl-3-phenyl-1,2-oxazol-5-yl)phenyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 71829962
methyl 3-amino-6-chloro-5-phenylpyrazine-2-carboxylate
CID 58870301

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate (CID 134858703) is methyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate is COC(=O)c1c(SC)cc(-c2ccccc2)nc1N.
What is the InChIKey of methyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate?
The InChIKey is REXXTUUPMRMIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-14(17)12-11(19-2)8-10(16-13(12)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,15,16).
What are the key properties of methyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate?
methyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate has a molecular weight of 274.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-methylsulfanyl-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 134858703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).