N-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide

C25H21N5O2S — CID 11676868

IUPACN-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc([C@@H](c2cccc(C#N)c2)C(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C25H21N5O2S/c1-33(31,32)30-23-11-3-10-22(29-23)25(19-7-2-6-18(14-19)15-26)24(20-8-4-12-27-16-20)21-9-5-13-28-17-21/h2-14,16-17,24-25H,1H3,(H,29,30)/t25-/m1/s1
InChIKeyICZMUQRLGYREPQ-RUZDIDTESA-N
MW455.54 g/mol
LogP4.08
Rot. Bonds7

About N-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide

N-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide (PubChem CID 11676868) has the molecular formula C25H21N5O2S and a molecular weight of 455.54 g/mol. Its IUPAC name is N-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
PubChem CID11676868
Molecular FormulaC25H21N5O2S
Molecular Weight455.54 g/mol
Exact Mass455.14
IUPAC NameN-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc([C@@H](c2cccc(C#N)c2)C(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C25H21N5O2S/c1-33(31,32)30-23-11-3-10-22(29-23)25(19-7-2-6-18(14-19)15-26)24(20-8-4-12-27-16-20)21-9-5-13-28-17-21/h2-14,16-17,24-25H,1H3,(H,29,30)/t25-/m1/s1
InChIKeyICZMUQRLGYREPQ-RUZDIDTESA-N
XLogP4.08
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide (CID 11676868) is N-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cccc([C@@H](c2cccc(C#N)c2)C(c2cccnc2)c2cccnc2)n1.
What is the InChIKey of N-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is ICZMUQRLGYREPQ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H21N5O2S/c1-33(31,32)30-23-11-3-10-22(29-23)25(19-7-2-6-18(14-19)15-26)24(20-8-4-12-27-16-20)21-9-5-13-28-17-21/h2-14,16-17,24-25H,1H3,(H,29,30)/t25-/m1/s1.
What are the key properties of N-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide?
N-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 455.54 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1R)-1-(3-cyanophenyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 11676868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).