2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide

C13H12N4O2S — CID 106545620

IUPAC2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2cccnc2C#N)n1
InChIInChI=1S/C13H12N4O2S/c1-10-4-2-5-11(17-10)9-16-20(18,19)13-6-3-7-15-12(13)8-14/h2-7,16H,9H2,1H3
InChIKeyFJHLJDGGICBESF-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.14
Rot. Bonds4

About 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide

2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide (PubChem CID 106545620) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
PubChem CID106545620
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2cccnc2C#N)n1
InChIInChI=1S/C13H12N4O2S/c1-10-4-2-5-11(17-10)9-16-20(18,19)13-6-3-7-15-12(13)8-14/h2-7,16H,9H2,1H3
InChIKeyFJHLJDGGICBESF-UHFFFAOYSA-N
XLogP1.14
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
CID 2738468
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
N-3-Pyridylbenzenesulfonamide
CID 339079
3-(Piperidin-1-ylsulphonyl)pyridine
CID 3623948
3-[1-(Benzenesulfonyl)-4-(methylaminomethyl)pyrrol-2-yl]pyridine-2-carbonitrile
CID 25007651
5-({4-[(Methylamino)methyl]-2-phenyl-1H-pyrrol-1-yl}sulfonyl)pyridine-2-carbonitrile hydrochloride
CID 57522481
3-[4-(Methylaminomethyl)-1-pyridin-3-ylsulfonylpyrrol-2-yl]pyridine-2-carbonitrile
CID 67084262
N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 668955
4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 674996
3,4-difluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2432838
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3244281

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide (CID 106545620) is 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide is Cc1cccc(CNS(=O)(=O)c2cccnc2C#N)n1.
What is the InChIKey of 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide?
The InChIKey is FJHLJDGGICBESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-10-4-2-5-11(17-10)9-16-20(18,19)13-6-3-7-15-12(13)8-14/h2-7,16H,9H2,1H3.
What are the key properties of 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide?
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106545620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).