1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide

C17H20N4O2S — CID 133359068

IUPAC1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNc1ccc(C#N)nc1
InChIInChI=1S/C17H20N4O2S/c1-13(2)21-24(22,23)12-15-6-4-3-5-14(15)10-19-17-8-7-16(9-18)20-11-17/h3-8,11,13,19,21H,10,12H2,1-2H3
InChIKeyDDHBFTJEJOVGJL-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.39
Rot. Bonds7

About 1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide

1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide (PubChem CID 133359068) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
PubChem CID133359068
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccccc1CNc1ccc(C#N)nc1
InChIInChI=1S/C17H20N4O2S/c1-13(2)21-24(22,23)12-15-6-4-3-5-14(15)10-19-17-8-7-16(9-18)20-11-17/h3-8,11,13,19,21H,10,12H2,1-2H3
InChIKeyDDHBFTJEJOVGJL-UHFFFAOYSA-N
XLogP2.39
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide (CID 133359068) is 1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)Cc1ccccc1CNc1ccc(C#N)nc1.
What is the InChIKey of 1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is DDHBFTJEJOVGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-13(2)21-24(22,23)12-15-6-4-3-5-14(15)10-19-17-8-7-16(9-18)20-11-17/h3-8,11,13,19,21H,10,12H2,1-2H3.
What are the key properties of 1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(6-cyano-3-pyridinyl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 133359068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).