2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid

C12H19N3O4S — CID 53024534

IUPAC2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid
SMILESCCCCN(C)c1ncc(NS(C)(=O)=O)cc1C(=O)O
InChIInChI=1S/C12H19N3O4S/c1-4-5-6-15(2)11-10(12(16)17)7-9(8-13-11)14-20(3,18)19/h7-8,14H,4-6H2,1-3H3,(H,16,17)
InChIKeyAYYFXZNQJZVQPJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.39
Rot. Bonds7

About 2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid

2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid (PubChem CID 53024534) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid
PubChem CID53024534
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid
SMILESCCCCN(C)c1ncc(NS(C)(=O)=O)cc1C(=O)O
InChIInChI=1S/C12H19N3O4S/c1-4-5-6-15(2)11-10(12(16)17)7-9(8-13-11)14-20(3,18)19/h7-8,14H,4-6H2,1-3H3,(H,16,17)
InChIKeyAYYFXZNQJZVQPJ-UHFFFAOYSA-N
XLogP1.39
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024537
2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093984
2-[butyl(methyl)amino]-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093980
2-[butyl(methyl)amino]-5-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 53093981
2-[butyl(methyl)amino]-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093985
2-[butyl(ethyl)amino]-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 53024726
2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024735
2-[butyl(ethyl)amino]-5-[(3,5-dimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054615
2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]-5-[(2,4,6-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024942
5-[(4-bromophenyl)sulfonylamino]-2-[butyl(ethyl)amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054591
2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]-5-(ethylsulfonylamino)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054871
2-[benzyl(methyl)amino]-5-[(2,4,6-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056639

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid?
The IUPAC name of 2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid (CID 53024534) is 2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid is CCCCN(C)c1ncc(NS(C)(=O)=O)cc1C(=O)O.
What is the InChIKey of 2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid?
The InChIKey is AYYFXZNQJZVQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-4-5-6-15(2)11-10(12(16)17)7-9(8-13-11)14-20(3,18)19/h7-8,14H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid?
2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid is sourced from PubChem (CID 53024534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).