6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile

C24H17F2N5O2S — CID 159220671

IUPAC6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile
SMILESCc1ncc(-c2ccnc(Nc3ccc(C#N)cn3)c2)cc1CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H17F2N5O2S/c1-15-19(14-34(32,33)22-4-3-20(25)10-21(22)26)8-18(13-29-15)17-6-7-28-24(9-17)31-23-5-2-16(11-27)12-30-23/h2-10,12-13H,14H2,1H3,(H,28,30,31)
InChIKeySYAYAJKMSGOYRN-UHFFFAOYSA-N
MW477.50 g/mol
LogP4.71
Rot. Bonds6

About 6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile

6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile (PubChem CID 159220671) has the molecular formula C24H17F2N5O2S and a molecular weight of 477.50 g/mol. Its IUPAC name is 6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile
PubChem CID159220671
Molecular FormulaC24H17F2N5O2S
Molecular Weight477.50 g/mol
Exact Mass477.11
IUPAC Name6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile
SMILESCc1ncc(-c2ccnc(Nc3ccc(C#N)cn3)c2)cc1CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H17F2N5O2S/c1-15-19(14-34(32,33)22-4-3-20(25)10-21(22)26)8-18(13-29-15)17-6-7-28-24(9-17)31-23-5-2-16(11-27)12-30-23/h2-10,12-13H,14H2,1H3,(H,28,30,31)
InChIKeySYAYAJKMSGOYRN-UHFFFAOYSA-N
XLogP4.71
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile (CID 159220671) is 6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile is Cc1ncc(-c2ccnc(Nc3ccc(C#N)cn3)c2)cc1CS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile?
The InChIKey is SYAYAJKMSGOYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O2S/c1-15-19(14-34(32,33)22-4-3-20(25)10-21(22)26)8-18(13-29-15)17-6-7-28-24(9-17)31-23-5-2-16(11-27)12-30-23/h2-10,12-13H,14H2,1H3,(H,28,30,31).
What are the key properties of 6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile?
6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile has a molecular weight of 477.50 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[5-[(2,4-difluorophenyl)sulfonylmethyl]-6-methyl-3-pyridinyl]-2-pyridinyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 159220671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).