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

C18H23N3O4S — CID 53024548

IUPAC2-[butyl(methyl)amino]-5-[(2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCCCCN(C)c1ncc(NS(=O)(=O)c2ccccc2C)cc1C(=O)O
InChIInChI=1S/C18H23N3O4S/c1-4-5-10-21(3)17-15(18(22)23)11-14(12-19-17)20-26(24,25)16-9-7-6-8-13(16)2/h6-9,11-12,20H,4-5,10H2,1-3H3,(H,22,23)
InChIKeyCSVPIRCCCXVMSO-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.13
Rot. Bonds8

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

2-[butyl(methyl)amino]-5-[(2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 53024548) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-5-[(2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-5-[(2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID53024548
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[butyl(methyl)amino]-5-[(2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCCCCN(C)c1ncc(NS(=O)(=O)c2ccccc2C)cc1C(=O)O
InChIInChI=1S/C18H23N3O4S/c1-4-5-10-21(3)17-15(18(22)23)11-14(12-19-17)20-26(24,25)16-9-7-6-8-13(16)2/h6-9,11-12,20H,4-5,10H2,1-3H3,(H,22,23)
InChIKeyCSVPIRCCCXVMSO-UHFFFAOYSA-N
XLogP3.13
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-5-[(2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[butyl(methyl)amino]-5-[(2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 53024548) is 2-[butyl(methyl)amino]-5-[(2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[butyl(methyl)amino]-5-[(2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[butyl(methyl)amino]-5-[(2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid is CCCCN(C)c1ncc(NS(=O)(=O)c2ccccc2C)cc1C(=O)O.
What is the InChIKey of 2-[butyl(methyl)amino]-5-[(2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is CSVPIRCCCXVMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-4-5-10-21(3)17-15(18(22)23)11-14(12-19-17)20-26(24,25)16-9-7-6-8-13(16)2/h6-9,11-12,20H,4-5,10H2,1-3H3,(H,22,23).
What are the key properties of 2-[butyl(methyl)amino]-5-[(2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid?
2-[butyl(methyl)amino]-5-[(2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 377.47 g/mol, XLogP of 3.13, 8 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-[(2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53024548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).