5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile

C19H16N4O2S — CID 133484635

IUPAC5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile
SMILESCS(=O)(=O)c1cccc(C(Nc2cnc(C#N)cn2)c2ccccc2)c1
InChIInChI=1S/C19H16N4O2S/c1-26(24,25)17-9-5-8-15(10-17)19(14-6-3-2-4-7-14)23-18-13-21-16(11-20)12-22-18/h2-10,12-13,19H,1H3,(H,22,23)
InChIKeyFGBSLKKFWNLPQT-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.95
Rot. Bonds5

About 5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile

5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile (PubChem CID 133484635) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile
PubChem CID133484635
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile
SMILESCS(=O)(=O)c1cccc(C(Nc2cnc(C#N)cn2)c2ccccc2)c1
InChIInChI=1S/C19H16N4O2S/c1-26(24,25)17-9-5-8-15(10-17)19(14-6-3-2-4-7-14)23-18-13-21-16(11-20)12-22-18/h2-10,12-13,19H,1H3,(H,22,23)
InChIKeyFGBSLKKFWNLPQT-UHFFFAOYSA-N
XLogP2.95
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-N-[(3-methylsulfonylphenyl)-phenylmethyl]pyrimidin-4-amine
CID 133484634
6-[[(4-fluorophenyl)-(3-methylsulfonylphenyl)methyl]amino]-N-methylpyridine-3-sulfonamide
CID 154839031
N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide
CID 166180691
5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile
CID 133486030
3-[1-[(6-cyano-3-pyridinyl)amino]ethyl]benzenesulfonamide
CID 133358707
N-methyl-1-(6-methyl-3-pyridinyl)-1-(3-methylsulfonylphenyl)methanamine
CID 115854901
N-[(4-methylphenyl)-(3-methylsulfonylphenyl)methyl]-5-phenyl-1,2,4-oxadiazol-3-amine
CID 133483660
4-fluoro-N-[(3-methylsulfonylphenyl)-phenylmethyl]-2-nitroaniline
CID 133331978
5-(pentan-3-ylamino)pyrazine-2-carbonitrile
CID 63658919
N-[(3,4-difluorophenyl)-(3-methylsulfonylphenyl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 133325794
2-methyl-3-(methylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]propanamide;hydrochloride
CID 119796978
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915

Frequently Asked Questions

What is the IUPAC name of 5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile (CID 133484635) is 5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile is CS(=O)(=O)c1cccc(C(Nc2cnc(C#N)cn2)c2ccccc2)c1.
What is the InChIKey of 5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile?
The InChIKey is FGBSLKKFWNLPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-26(24,25)17-9-5-8-15(10-17)19(14-6-3-2-4-7-14)23-18-13-21-16(11-20)12-22-18/h2-10,12-13,19H,1H3,(H,22,23).
What are the key properties of 5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile?
5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile has a molecular weight of 364.43 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-methylsulfonylphenyl)-phenylmethyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133484635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).