2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide

C41H53Cl4N9O7S2 — CID 158935390

About 2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide

2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide (PubChem CID 158935390) has the molecular formula C41H53Cl4N9O7S2 and a molecular weight of 989.88 g/mol. Its IUPAC name is 2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide
• PubChem CID: 158935390
• Molecular Formula: C41H53Cl4N9O7S2
• Molecular Weight: 989.88 g/mol
• Exact Mass: 987.23
• IUPAC Name: 2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide
• SMILES: CC1(C)CC(CCCNc2cccc(S(=O)(=O)NC(=O)c3ccc(Cl)nc3Cl)n2)CN1.CC1(C)CCC(CCCNc2cccc(S(N)(=O)=O)n2)C1.O=C(O)c1ccc(Cl)nc1Cl
• InChI: InChI=1S/C20H25Cl2N5O3S.C15H25N3O2S.C6H3Cl2NO2/c1-20(2)11-13(12-24-20)5-4-10-23-16-6-3-7-17(26-16)31(29,30)27-19(28)14-8-9-15(21)25-18(14)22;1-15(2)9-8-12(11-15)5-4-10-17-13-6-3-7-14(18-13)21(16,19)20;7-4-2-1-3(6(10)11)5(8)9-4/h3,6-9,13,24H,4-5,10-12H2,1-2H3,(H,23,26)(H,27,28);3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,18)(H2,16,19,20);1-2H,(H,10,11)
• InChIKey: JJOUMCNLFGBGJB-UHFFFAOYSA-N
• XLogP: 8.32
• TPSA: 248.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	989.88
LogP ≤ 5	8.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide?

The IUPAC name of 2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide (CID 158935390) is 2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide.

What is the SMILES notation for 2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide?

The canonical SMILES for 2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide is CC1(C)CC(CCCNc2cccc(S(=O)(=O)NC(=O)c3ccc(Cl)nc3Cl)n2)CN1.CC1(C)CCC(CCCNc2cccc(S(N)(=O)=O)n2)C1.O=C(O)c1ccc(Cl)nc1Cl.

What is the InChIKey of 2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide?

The InChIKey is JJOUMCNLFGBGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N5O3S.C15H25N3O2S.C6H3Cl2NO2/c1-20(2)11-13(12-24-20)5-4-10-23-16-6-3-7-17(26-16)31(29,30)27-19(28)14-8-9-15(21)25-18(14)22;1-15(2)9-8-12(11-15)5-4-10-17-13-6-3-7-14(18-13)21(16,19)20;7-4-2-1-3(6(10)11)5(8)9-4/h3,6-9,13,24H,4-5,10-12H2,1-2H3,(H,23,26)(H,27,28);3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,18)(H2,16,19,20);1-2H,(H,10,11).

What are the key properties of 2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide?

2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide has a molecular weight of 989.88 g/mol, XLogP of 8.32, 15 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide;2,6-dichloropyridine-3-carboxylic acid;6-[3-(3,3-dimethylcyclopentyl)propylamino]pyridine-2-sulfonamide is sourced from PubChem (CID 158935390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).