2-ethoxy-N-[3-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide

C23H23N3O6S — CID 3243903

IUPAC2-ethoxy-N-[3-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)CCO)c2)c1
InChIInChI=1S/C23H23N3O6S/c1-2-32-23-20(10-5-11-24-23)22(29)26-17-7-3-6-16(14-17)21(28)25-18-8-4-9-19(15-18)33(30,31)13-12-27/h3-11,14-15,27H,2,12-13H2,1H3,(H,25,28)(H,26,29)
InChIKeyKPGOUKKEQDUDBY-UHFFFAOYSA-N
MW469.52 g/mol
LogP2.75
Rot. Bonds9

About 2-ethoxy-N-[3-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide

2-ethoxy-N-[3-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 3243903) has the molecular formula C23H23N3O6S and a molecular weight of 469.52 g/mol. Its IUPAC name is 2-ethoxy-N-[3-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID3243903
Molecular FormulaC23H23N3O6S
Molecular Weight469.52 g/mol
Exact Mass469.13
IUPAC Name2-ethoxy-N-[3-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)CCO)c2)c1
InChIInChI=1S/C23H23N3O6S/c1-2-32-23-20(10-5-11-24-23)22(29)26-17-7-3-6-16(14-17)21(28)25-18-8-4-9-19(15-18)33(30,31)13-12-27/h3-11,14-15,27H,2,12-13H2,1H3,(H,25,28)(H,26,29)
InChIKeyKPGOUKKEQDUDBY-UHFFFAOYSA-N
XLogP2.75
TPSA134.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[3-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide (CID 3243903) is 2-ethoxy-N-[3-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[3-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[3-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)CCO)c2)c1.
What is the InChIKey of 2-ethoxy-N-[3-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is KPGOUKKEQDUDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6S/c1-2-32-23-20(10-5-11-24-23)22(29)26-17-7-3-6-16(14-17)21(28)25-18-8-4-9-19(15-18)33(30,31)13-12-27/h3-11,14-15,27H,2,12-13H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-ethoxy-N-[3-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
2-ethoxy-N-[3-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 2.75, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-[[3-(2-hydroxyethylsulfonyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 3243903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).