N-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide

C26H22FN3O3S — CID 177019414

IUPACN-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(-c3ccc(F)c(-c4ccccn4)c3)ccn2)cc1S(C)(=O)=O
InChIInChI=1S/C26H22FN3O3S/c1-17-6-7-20(15-25(17)34(2,32)33)26(31)30-16-21-13-19(10-12-28-21)18-8-9-23(27)22(14-18)24-5-3-4-11-29-24/h3-15H,16H2,1-2H3,(H,30,31)
InChIKeyHSBDRSAVQHWEPN-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.59
Rot. Bonds6

About N-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide

N-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide (PubChem CID 177019414) has the molecular formula C26H22FN3O3S and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide
PubChem CID177019414
Molecular FormulaC26H22FN3O3S
Molecular Weight475.55 g/mol
Exact Mass475.14
IUPAC NameN-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCc2cc(-c3ccc(F)c(-c4ccccn4)c3)ccn2)cc1S(C)(=O)=O
InChIInChI=1S/C26H22FN3O3S/c1-17-6-7-20(15-25(17)34(2,32)33)26(31)30-16-21-13-19(10-12-28-21)18-8-9-23(27)22(14-18)24-5-3-4-11-29-24/h3-15H,16H2,1-2H3,(H,30,31)
InChIKeyHSBDRSAVQHWEPN-UHFFFAOYSA-N
XLogP4.59
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[4-(1-methylpyrrolo[3,2-b]pyridin-5-yl)-2-pyridinyl]methyl]-3-methylsulfonylbenzamide
CID 177019450
N-[[4-[2-(2-hydroxyphenyl)-4-pyridinyl]-2-pyridinyl]methyl]-4-methyl-3-methylsulfanylbenzamide
CID 177019387
4-methyl-3-methylsulfinyl-N-[(4-phenyl-2-pyridinyl)methyl]benzamide
CID 177019349
N-[[4-(4-methoxy-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-1-oxo-3,5-dihydro-2H-4,1λ4-benzoxathiepine-8-carboxamide
CID 177019372
3-fluoro-4-methyl-N-[2-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 110971102
N-[[4-[(3E)-5-iminohepta-1,3,6-trien-3-yl]-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide;molecular hydrogen
CID 177019432
N-[[6-(6-ethyl-2-pyridinyl)pyrido[3,2-c]pyridazin-3-yl]methyl]-4-methyl-3-methylsulfonylbenzamide
CID 164906932
4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414636
2-(5-methylthiophen-2-yl)-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 53199668
N-[[4-(2-methoxy-4-pyridinyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfanylbenzamide
CID 177019515
N-[[4-[3-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]-2-pyridinyl]methyl]-4-methyl-3-methylsulfanylbenzamide
CID 177019310
N-[[4-[3-[6-(dimethylamino)-2-pyridinyl]phenyl]-2-pyridinyl]methyl]-4-methyl-3-methylsulfanylbenzamide
CID 177019434

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide?
The IUPAC name of N-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide (CID 177019414) is N-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide?
The canonical SMILES for N-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide is Cc1ccc(C(=O)NCc2cc(-c3ccc(F)c(-c4ccccn4)c3)ccn2)cc1S(C)(=O)=O.
What is the InChIKey of N-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide?
The InChIKey is HSBDRSAVQHWEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3S/c1-17-6-7-20(15-25(17)34(2,32)33)26(31)30-16-21-13-19(10-12-28-21)18-8-9-23(27)22(14-18)24-5-3-4-11-29-24/h3-15H,16H2,1-2H3,(H,30,31).
What are the key properties of N-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide?
N-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide has a molecular weight of 475.55 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluoro-3-pyridin-2-ylphenyl)-2-pyridinyl]methyl]-4-methyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 177019414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).