6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide

C15H17N3O4S — CID 51088955

IUPAC6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2NS(C)(=O)=O)cn1
InChIInChI=1S/C15H17N3O4S/c1-3-22-14-9-8-11(10-16-14)15(19)17-12-6-4-5-7-13(12)18-23(2,20)21/h4-10,18H,3H2,1-2H3,(H,17,19)
InChIKeyAEBXEEDABRHABK-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.10
Rot. Bonds6

About 6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide

6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide (PubChem CID 51088955) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide
PubChem CID51088955
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2NS(C)(=O)=O)cn1
InChIInChI=1S/C15H17N3O4S/c1-3-22-14-9-8-11(10-16-14)15(19)17-12-6-4-5-7-13(12)18-23(2,20)21/h4-10,18H,3H2,1-2H3,(H,17,19)
InChIKeyAEBXEEDABRHABK-UHFFFAOYSA-N
XLogP2.10
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide (CID 51088955) is 6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccccc2NS(C)(=O)=O)cn1.
What is the InChIKey of 6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide?
The InChIKey is AEBXEEDABRHABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-3-22-14-9-8-11(10-16-14)15(19)17-12-6-4-5-7-13(12)18-23(2,20)21/h4-10,18H,3H2,1-2H3,(H,17,19).
What are the key properties of 6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide?
6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[2-(methanesulfonamido)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 51088955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).