4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide

C16H18N6O2S — CID 69452736

IUPAC4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)N2CCN(c3ncccc3C#N)CC2)n1
InChIInChI=1S/C16H18N6O2S/c1-13-4-2-6-15(19-13)20-25(23,24)22-10-8-21(9-11-22)16-14(12-17)5-3-7-18-16/h2-7H,8-11H2,1H3,(H,19,20)
InChIKeyKZJMUIJRCIDDDW-UHFFFAOYSA-N
MW358.43 g/mol
LogP1.14
Rot. Bonds4

About 4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide

4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide (PubChem CID 69452736) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is 4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide
PubChem CID69452736
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC Name4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide
SMILESCc1cccc(NS(=O)(=O)N2CCN(c3ncccc3C#N)CC2)n1
InChIInChI=1S/C16H18N6O2S/c1-13-4-2-6-15(19-13)20-25(23,24)22-10-8-21(9-11-22)16-14(12-17)5-3-7-18-16/h2-7H,8-11H2,1H3,(H,19,20)
InChIKeyKZJMUIJRCIDDDW-UHFFFAOYSA-N
XLogP1.14
TPSA102.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide?
The IUPAC name of 4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide (CID 69452736) is 4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide.
What is the SMILES notation for 4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide?
The canonical SMILES for 4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide is Cc1cccc(NS(=O)(=O)N2CCN(c3ncccc3C#N)CC2)n1.
What is the InChIKey of 4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide?
The InChIKey is KZJMUIJRCIDDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-13-4-2-6-15(19-13)20-25(23,24)22-10-8-21(9-11-22)16-14(12-17)5-3-7-18-16/h2-7H,8-11H2,1H3,(H,19,20).
What are the key properties of 4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide?
4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide has a molecular weight of 358.43 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-2-pyridinyl)-N-(6-methyl-2-pyridinyl)piperazine-1-sulfonamide is sourced from PubChem (CID 69452736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).