2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid

C19H25N3O6S — CID 53024537

IUPAC2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCCCCN(C)c1ncc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1C(=O)O
InChIInChI=1S/C19H25N3O6S/c1-5-6-9-22(2)18-15(19(23)24)10-13(12-20-18)21-29(25,26)14-7-8-16(27-3)17(11-14)28-4/h7-8,10-12,21H,5-6,9H2,1-4H3,(H,23,24)
InChIKeyVDXCGLOKAQXNRK-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.83
Rot. Bonds10

About 2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid

2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 53024537) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID53024537
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Name2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCCCCN(C)c1ncc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1C(=O)O
InChIInChI=1S/C19H25N3O6S/c1-5-6-9-22(2)18-15(19(23)24)10-13(12-20-18)21-29(25,26)14-7-8-16(27-3)17(11-14)28-4/h7-8,10-12,21H,5-6,9H2,1-4H3,(H,23,24)
InChIKeyVDXCGLOKAQXNRK-UHFFFAOYSA-N
XLogP2.83
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[butyl(methyl)amino]-5-(methanesulfonamido)pyridine-3-carboxylic acid
CID 53024534
5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid
CID 53024633
2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024735
2-[butyl(ethyl)amino]-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 53024726
5-[(4-bromophenyl)sulfonylamino]-2-[butyl(ethyl)amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054591
5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid
CID 53056657
5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid
CID 53056671
2-[butyl(methyl)amino]-5-[(4-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093980
2-[butyl(methyl)amino]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53093984
2-[butyl(ethyl)amino]-5-[(3,5-dimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054615
2-[2-(dimethylamino)ethyl-ethylamino]-5-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054565
2-[benzyl(butyl)amino]-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054660

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 53024537) is 2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid is CCCCN(C)c1ncc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1C(=O)O.
What is the InChIKey of 2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is VDXCGLOKAQXNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-5-6-9-22(2)18-15(19(23)24)10-13(12-20-18)21-29(25,26)14-7-8-16(27-3)17(11-14)28-4/h7-8,10-12,21H,5-6,9H2,1-4H3,(H,23,24).
What are the key properties of 2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid?
2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 423.49 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53024537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).