6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide

C21H20FN3O4S — CID 56646560

IUPAC6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C21H20FN3O4S/c1-30(27,28)24-14-13-23-21(26)20-4-2-3-19(25-20)15-5-9-17(10-6-15)29-18-11-7-16(22)8-12-18/h2-12,24H,13-14H2,1H3,(H,23,26)
InChIKeyKJCYQZPGGBNOMR-UHFFFAOYSA-N
MW429.47 g/mol
LogP2.96
Rot. Bonds8

About 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide

6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide (PubChem CID 56646560) has the molecular formula C21H20FN3O4S and a molecular weight of 429.47 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
PubChem CID56646560
Molecular FormulaC21H20FN3O4S
Molecular Weight429.47 g/mol
Exact Mass429.12
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)NCCNC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C21H20FN3O4S/c1-30(27,28)24-14-13-23-21(26)20-4-2-3-19(25-20)15-5-9-17(10-6-15)29-18-11-7-16(22)8-12-18/h2-12,24H,13-14H2,1H3,(H,23,26)
InChIKeyKJCYQZPGGBNOMR-UHFFFAOYSA-N
XLogP2.96
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(4-(2-(Benzylamino)ethyl)phenoxy)picolinamide
CID 44434931
4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 89657560
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-2-[4-(trifluoromethyl)cyclohexyl]oxypyridin-3-yl]methyl]propanamide
CID 16225653
N-[[2-(cyclohexylmethoxy)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 58873252
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-methoxyphenyl)methoxy]-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 58873414
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-phenylmethoxy-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 58873550
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(2-phenylethoxy)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 58873642
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(4-methoxyphenyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 58873763
Pyridine amide, 29
CID 44237004
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(3-fluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]propanamide
CID 71698889
N-[[2-[(3,5-difluorophenyl)methoxy]-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 71698979
N-[[6-tert-butyl-2-[(4-fluorophenyl)methoxy]-3-pyridinyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 137656937

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide (CID 56646560) is 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide is CS(=O)(=O)NCCNC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide?
The InChIKey is KJCYQZPGGBNOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4S/c1-30(27,28)24-14-13-23-21(26)20-4-2-3-19(25-20)15-5-9-17(10-6-15)29-18-11-7-16(22)8-12-18/h2-12,24H,13-14H2,1H3,(H,23,26).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide?
6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide has a molecular weight of 429.47 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-N-[2-(methanesulfonamido)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 56646560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).