2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide

C21H26N4O6S — CID 19970743

IUPAC2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide
SMILESCC(C)C(=O)NCCc1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)c1
InChIInChI=1S/C21H26N4O6S/c1-14(2)19(27)22-9-8-15-4-3-5-17(12-15)32(30,31)25-20(28)16-6-7-18(24-13-16)21(29)23-10-11-26/h3-7,12-14,26H,8-11H2,1-2H3,(H,22,27)(H,23,29)(H,25,28)
InChIKeyOSQYIMGJNKJDMD-UHFFFAOYSA-N
MW462.53 g/mol
LogP0.24
Rot. Bonds10

About 2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide

2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide (PubChem CID 19970743) has the molecular formula C21H26N4O6S and a molecular weight of 462.53 g/mol. Its IUPAC name is 2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide
PubChem CID19970743
Molecular FormulaC21H26N4O6S
Molecular Weight462.53 g/mol
Exact Mass462.16
IUPAC Name2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide
SMILESCC(C)C(=O)NCCc1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)c1
InChIInChI=1S/C21H26N4O6S/c1-14(2)19(27)22-9-8-15-4-3-5-17(12-15)32(30,31)25-20(28)16-6-7-18(24-13-16)21(29)23-10-11-26/h3-7,12-14,26H,8-11H2,1-2H3,(H,22,27)(H,23,29)(H,25,28)
InChIKeyOSQYIMGJNKJDMD-UHFFFAOYSA-N
XLogP0.24
TPSA154.56 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-[[4-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]ethyl 2-methylpropanoate
CID 19970631
2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970382
5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970700
2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide
CID 19970593
5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970615
2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970509
propyl 5-[[3-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928441
propan-2-yl 2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 67712719
2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid
CID 19970641
2-N-(2-methoxyethyl)-5-N-[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970692
ethyl 2-[[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 19970664
[5-[[3-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70212124

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide (CID 19970743) is 2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide is CC(C)C(=O)NCCc1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)c1.
What is the InChIKey of 2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide?
The InChIKey is OSQYIMGJNKJDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6S/c1-14(2)19(27)22-9-8-15-4-3-5-17(12-15)32(30,31)25-20(28)16-6-7-18(24-13-16)21(29)23-10-11-26/h3-7,12-14,26H,8-11H2,1-2H3,(H,22,27)(H,23,29)(H,25,28).
What are the key properties of 2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide?
2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide has a molecular weight of 462.53 g/mol, XLogP of 0.24, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 19970743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).