6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide

C25H21FN4O4S — CID 56646561

IUPAC6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cccnc1)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C25H21FN4O4S/c26-19-8-12-21(13-9-19)34-20-10-6-18(7-11-20)23-4-1-5-24(30-23)25(31)28-15-16-29-35(32,33)22-3-2-14-27-17-22/h1-14,17,29H,15-16H2,(H,28,31)
InChIKeyASSBJBDALLTKNV-UHFFFAOYSA-N
MW492.53 g/mol
LogP3.78
Rot. Bonds9

About 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide

6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide (PubChem CID 56646561) has the molecular formula C25H21FN4O4S and a molecular weight of 492.53 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide
PubChem CID56646561
Molecular FormulaC25H21FN4O4S
Molecular Weight492.53 g/mol
Exact Mass492.13
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cccnc1)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C25H21FN4O4S/c26-19-8-12-21(13-9-19)34-20-10-6-18(7-11-20)23-4-1-5-24(30-23)25(31)28-15-16-29-35(32,33)22-3-2-14-27-17-22/h1-14,17,29H,15-16H2,(H,28,31)
InChIKeyASSBJBDALLTKNV-UHFFFAOYSA-N
XLogP3.78
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 10273574
CID 10273574
CID 11247128
CID 11247128
CID 57407347
CID 57407347
CID 71566103
CID 71566103
CID 71616989
CID 71616989
CID 139341726
CID 139341726
CID 139341727
CID 139341727
CID 46178529
CID 46178529
CID 46178612
CID 46178612
CID 91937569
CID 91937569
CID 91937573
CID 91937573
CID 91937579
CID 91937579

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide (CID 56646561) is 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide is O=C(NCCNS(=O)(=O)c1cccnc1)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is ASSBJBDALLTKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O4S/c26-19-8-12-21(13-9-19)34-20-10-6-18(7-11-20)23-4-1-5-24(30-23)25(31)28-15-16-29-35(32,33)22-3-2-14-27-17-22/h1-14,17,29H,15-16H2,(H,28,31).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide?
6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 492.53 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(pyridin-3-ylsulfonylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 56646561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).