5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid

C20H25N3O5S — CID 53056657

IUPAC5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid
SMILESCCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)O
InChIInChI=1S/C20H25N3O5S/c1-4-10-23(11-5-2)19-18(20(25)26)12-16(13-21-19)22-29(27,28)17-8-6-15(7-9-17)14(3)24/h6-9,12-13,22H,4-5,10-11H2,1-3H3,(H,25,26)
InChIKeyZYCOJNNYVURYQX-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.41
Rot. Bonds10

About 5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid

5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid (PubChem CID 53056657) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid
PubChem CID53056657
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid
SMILESCCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)O
InChIInChI=1S/C20H25N3O5S/c1-4-10-23(11-5-2)19-18(20(25)26)12-16(13-21-19)22-29(27,28)17-8-6-15(7-9-17)14(3)24/h6-9,12-13,22H,4-5,10-11H2,1-3H3,(H,25,26)
InChIKeyZYCOJNNYVURYQX-UHFFFAOYSA-N
XLogP3.41
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid
CID 53056717
2-(dipropylamino)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054482
5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid
CID 53024633
5-[(3,5-dimethylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054498
2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024735
5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)benzoic acid;2,2,2-trifluoroacetic acid
CID 146055131
5-[(4-acetylphenyl)sulfonylamino]-2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]pyridine-3-carboxylic acid
CID 53056737
5-[(4-bromophenyl)sulfonylamino]-2-[butyl(ethyl)amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054591
5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid
CID 53056707
5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid
CID 53056671
2-[butyl(ethyl)amino]-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 53024726
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 5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid (CID 53056657) is 5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid is CCCN(CCC)c1ncc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C(=O)O.
What is the InChIKey of 5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid?
The InChIKey is ZYCOJNNYVURYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-4-10-23(11-5-2)19-18(20(25)26)12-16(13-21-19)22-29(27,28)17-8-6-15(7-9-17)14(3)24/h6-9,12-13,22H,4-5,10-11H2,1-3H3,(H,25,26).
What are the key properties of 5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid?
5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid has a molecular weight of 419.50 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 53056657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).