2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid

C20H27N3O5S — CID 53024735

IUPAC2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCCCCN(CC)c1ncc(NS(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)O
InChIInChI=1S/C20H27N3O5S/c1-4-7-12-23(5-2)19-18(20(24)25)13-15(14-21-19)22-29(26,27)17-10-8-16(9-11-17)28-6-3/h8-11,13-14,22H,4-7,12H2,1-3H3,(H,24,25)
InChIKeyJNZVMMRXBAWXRS-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.61
Rot. Bonds11

About 2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid

2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 53024735) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID53024735
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC Name2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCCCCN(CC)c1ncc(NS(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)O
InChIInChI=1S/C20H27N3O5S/c1-4-7-12-23(5-2)19-18(20(24)25)13-15(14-21-19)22-29(26,27)17-10-8-16(9-11-17)28-6-3/h8-11,13-14,22H,4-7,12H2,1-3H3,(H,24,25)
InChIKeyJNZVMMRXBAWXRS-UHFFFAOYSA-N
XLogP3.61
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53001970
5-[(4-bromophenyl)sulfonylamino]-2-[butyl(ethyl)amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054591
2-[butyl(ethyl)amino]-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 53024726
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
5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid
CID 53056657
2-[benzyl(butyl)amino]-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054660
5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid
CID 53056671
2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate
CID 54710151
5-[(5-bromothiophen-2-yl)sulfonylamino]-2-[butyl(ethyl)amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054588
2-[butyl(ethyl)amino]-5-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054589
2-[butyl(methyl)amino]-5-[(3,4-dimethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024537

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 53024735) is 2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid is CCCCN(CC)c1ncc(NS(=O)(=O)c2ccc(OCC)cc2)cc1C(=O)O.
What is the InChIKey of 2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is JNZVMMRXBAWXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-4-7-12-23(5-2)19-18(20(24)25)13-15(14-21-19)22-29(26,27)17-10-8-16(9-11-17)28-6-3/h8-11,13-14,22H,4-7,12H2,1-3H3,(H,24,25).
What are the key properties of 2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid?
2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 421.52 g/mol, XLogP of 3.61, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53024735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).