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

6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
6-[4-(4-Fluorophenoxy)phenyl]-N-[2-(1-piperidinyl)ethyl]-2-pyridinecarboxamide
CID 11247128
N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]pyridine-2-carboxamide
CID 57407347
2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-4-carboxamide
CID 71566103
3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzenesulfonamide
CID 71616989
N-tert-butyl-6-(2,4-difluorophenoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide
CID 139341726
6-(2,4-difluorophenoxy)-N,N-dimethyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)pyridine-3-sulfonamide
CID 139341727
N-[4-[(1R,3R,5S)-3-amino-5-(trifluoromethyl)cyclohexyl]pyridin-3-yl]-6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxamide
CID 46178529
N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropyridine-2-carboxamide
CID 46178612
N-[4-[(1R,3R,4S,5S)-3-amino-5-methyl-4-methylsulfonylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(oxan-4-yloxy)phenyl]-5-fluoropyridine-2-carboxamide
CID 91937569
N-[4-[(1R,3R,4S,5S)-3-amino-5-methyl-4-methylsulfonylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropyridine-2-carboxamide
CID 91937573
N-[4-[(1R,3R,4S,5S)-3-amino-5-methyl-4-methylsulfonylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-5-fluoropyridine-2-carboxamide
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).