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

C17H28N6O2S — CID 58561349

IUPAC6-[3-(dimethylamino)propyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N(C)CCCN(C)C)nc1
InChIInChI=1S/C17H28N6O2S/c1-13-17(14(2)23(6)19-13)20-26(24,25)15-8-9-16(18-12-15)22(5)11-7-10-21(3)4/h8-9,12,20H,7,10-11H2,1-6H3
InChIKeyYVFDUZQZVAYJAN-UHFFFAOYSA-N
MW380.52 g/mol
LogP1.62
Rot. Bonds8

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

6-[3-(dimethylamino)propyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 58561349) has the molecular formula C17H28N6O2S and a molecular weight of 380.52 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID58561349
Molecular FormulaC17H28N6O2S
Molecular Weight380.52 g/mol
Exact Mass380.20
IUPAC Name6-[3-(dimethylamino)propyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N(C)CCCN(C)C)nc1
InChIInChI=1S/C17H28N6O2S/c1-13-17(14(2)23(6)19-13)20-26(24,25)15-8-9-16(18-12-15)22(5)11-7-10-21(3)4/h8-9,12,20H,7,10-11H2,1-6H3
InChIKeyYVFDUZQZVAYJAN-UHFFFAOYSA-N
XLogP1.62
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[3-(dimethylamino)propyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 58561349) is 6-[3-(dimethylamino)propyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-(dimethylamino)propyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-(dimethylamino)propyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N(C)CCCN(C)C)nc1.
What is the InChIKey of 6-[3-(dimethylamino)propyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is YVFDUZQZVAYJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2S/c1-13-17(14(2)23(6)19-13)20-26(24,25)15-8-9-16(18-12-15)22(5)11-7-10-21(3)4/h8-9,12,20H,7,10-11H2,1-6H3.
What are the key properties of 6-[3-(dimethylamino)propyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-[3-(dimethylamino)propyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 380.52 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 58561349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).