2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid

C10H15N3O4S — CID 114195177

IUPAC2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(CS(C)(=O)=O)Nc1cnc(N)cc1C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-6(5-18(2,16)17)13-8-4-12-9(11)3-7(8)10(14)15/h3-4,6,13H,5H2,1-2H3,(H2,11,12)(H,14,15)
InChIKeyLRWZAWMGYFUZLG-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.21
Rot. Bonds5

About 2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid

2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid (PubChem CID 114195177) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid
PubChem CID114195177
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid
SMILESCC(CS(C)(=O)=O)Nc1cnc(N)cc1C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-6(5-18(2,16)17)13-8-4-12-9(11)3-7(8)10(14)15/h3-4,6,13H,5H2,1-2H3,(H2,11,12)(H,14,15)
InChIKeyLRWZAWMGYFUZLG-UHFFFAOYSA-N
XLogP0.21
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-4-carboxylic acid
CID 114194951
2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923822
2,4-difluoro-5-(1-methylsulfonylpropan-2-ylamino)benzoic acid
CID 64629535
2-amino-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carboxylic acid
CID 114195336
3-methyl-4-(1-methylsulfonylpropan-2-ylamino)benzoic acid
CID 64629137
3-bromo-4-(1-methylsulfonylpropan-2-ylamino)benzoic acid
CID 82800377
3-chloro-4-(1-methylsulfonylpropan-2-ylamino)benzoic acid
CID 64642114
4-amino-N-methyl-2-(1-methylsulfonylpropan-2-ylamino)benzamide
CID 64630405
2-amino-5-[methyl(4-methylpentan-2-yl)amino]pyridine-4-carboxylic acid
CID 114194989
5-(1-methylsulfonylpropan-2-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685628
2-amino-5-(1,2-diaminoethyl)pyridine-4-carboxylic acid
CID 55269278
2-amino-5-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxylic acid
CID 114195062

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid (CID 114195177) is 2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid is CC(CS(C)(=O)=O)Nc1cnc(N)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid?
The InChIKey is LRWZAWMGYFUZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-6(5-18(2,16)17)13-8-4-12-9(11)3-7(8)10(14)15/h3-4,6,13H,5H2,1-2H3,(H2,11,12)(H,14,15).
What are the key properties of 2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid?
2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-methylsulfonylpropan-2-ylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114195177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).