6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C22H30N6O2S — CID 57393582

IUPAC6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N(C)Cc2ccc(CN(C)C)cc2)nc1
InChIInChI=1S/C22H30N6O2S/c1-16-22(17(2)28(6)24-16)25-31(29,30)20-11-12-21(23-13-20)27(5)15-19-9-7-18(8-10-19)14-26(3)4/h7-13,25H,14-15H2,1-6H3
InChIKeyJHCHRYZKNSMXII-UHFFFAOYSA-N
MW442.59 g/mol
LogP2.93
Rot. Bonds8

About 6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 57393582) has the molecular formula C22H30N6O2S and a molecular weight of 442.59 g/mol. Its IUPAC name is 6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID57393582
Molecular FormulaC22H30N6O2S
Molecular Weight442.59 g/mol
Exact Mass442.22
IUPAC Name6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N(C)Cc2ccc(CN(C)C)cc2)nc1
InChIInChI=1S/C22H30N6O2S/c1-16-22(17(2)28(6)24-16)25-31(29,30)20-11-12-21(23-13-20)27(5)15-19-9-7-18(8-10-19)14-26(3)4/h7-13,25H,14-15H2,1-6H3
InChIKeyJHCHRYZKNSMXII-UHFFFAOYSA-N
XLogP2.93
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 57393582) is 6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N(C)Cc2ccc(CN(C)C)cc2)nc1.
What is the InChIKey of 6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is JHCHRYZKNSMXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2S/c1-16-22(17(2)28(6)24-16)25-31(29,30)20-11-12-21(23-13-20)27(5)15-19-9-7-18(8-10-19)14-26(3)4/h7-13,25H,14-15H2,1-6H3.
What are the key properties of 6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 442.59 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[(dimethylamino)methyl]phenyl]methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 57393582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).