methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate

C14H14N2O4S — CID 172649603

IUPACmethyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H14N2O4S/c1-20-14(17)11-7-13(15)16-8-12(11)9-3-5-10(6-4-9)21(2,18)19/h3-8H,1-2H3,(H2,15,16)
InChIKeyACVJSVDFMMALIA-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.52
Rot. Bonds3

About methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate

methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate (PubChem CID 172649603) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate
PubChem CID172649603
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Namemethyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H14N2O4S/c1-20-14(17)11-7-13(15)16-8-12(11)9-3-5-10(6-4-9)21(2,18)19/h3-8H,1-2H3,(H2,15,16)
InChIKeyACVJSVDFMMALIA-UHFFFAOYSA-N
XLogP1.52
TPSA99.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-5-(4-cyanophenyl)pyridine-4-carboxylate
CID 172649602
methyl 3-amino-5-methylsulfonylpyridine-2-carboxylate
CID 163377018
methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate
CID 172649615
methyl 2-amino-5-(2-ethylphenyl)pyridine-4-carboxylate
CID 172649580
methyl 2-amino-5-(3-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 172649588
methyl 5-amino-2-[6-(1,1-difluoroethyl)-3-pyridinyl]benzoate
CID 138678384
3-methoxy-4-(4-methylsulfonylphenyl)benzoic acid
CID 53228122
methyl 2-iodo-4-methylsulfonylbenzoate
CID 66877977
3-(4-methylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224225
methyl 2-(aminomethyl)-4-methylsulfonylbenzoate
CID 141002020
methyl 2-amino-5-pyrimidin-2-ylsulfanylpyridine-4-carboxylate
CID 114195751
4-[2-amino-5-(4-methylsulfonylphenyl)-3-pyridinyl]benzamide
CID 53311138

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate (CID 172649603) is methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate is COC(=O)c1cc(N)ncc1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate?
The InChIKey is ACVJSVDFMMALIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-20-14(17)11-7-13(15)16-8-12(11)9-3-5-10(6-4-9)21(2,18)19/h3-8H,1-2H3,(H2,15,16).
What are the key properties of methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate?
methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate has a molecular weight of 306.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(4-methylsulfonylphenyl)pyridine-4-carboxylate is sourced from PubChem (CID 172649603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).