2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide

C64H94Cl2N10O11S2 — CID 159706508

About 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide

2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide (PubChem CID 159706508) has the molecular formula C64H94Cl2N10O11S2 and a molecular weight of 1314.55 g/mol. Its IUPAC name is 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide
• PubChem CID: 159706508
• Molecular Formula: C64H94Cl2N10O11S2
• Molecular Weight: 1314.55 g/mol
• Exact Mass: 1312.59
• IUPAC Name: 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide
• SMILES: CC(C)(C)CCCOC1CCN(c2ccc(C(=O)NS(=O)(=O)c3cccc(NCCC[C@@H]4CCC(C)(C)C4)n3)c(Cl)n2)C1=O.CC(C)(C)CCCOC1CCN(c2ccc(C(=O)O)c(Cl)n2)C1=O.CC1(C)CC[C@@H](CCCNc2cccc(S(N)(=O)=O)n2)C1
• InChI: InChI=1S/C32H46ClN5O5S.C17H23ClN2O4.C15H25N3O2S/c1-31(2,3)16-8-20-43-24-15-19-38(30(24)40)26-13-12-23(28(33)36-26)29(39)37-44(41,42)27-11-6-10-25(35-27)34-18-7-9-22-14-17-32(4,5)21-22;1-17(2,3)8-4-10-24-12-7-9-20(15(12)21)13-6-5-11(16(22)23)14(18)19-13;1-15(2)9-8-12(11-15)5-4-10-17-13-6-3-7-14(18-13)21(16,19)20/h6,10-13,22,24H,7-9,14-21H2,1-5H3,(H,34,35)(H,37,39);5-6,12H,4,7-10H2,1-3H3,(H,22,23);3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,18)(H2,16,19,20)/t22-,24?;;12-/m1.1/s1
• InChIKey: MYGYAZSMCGJXLL-BDXVFVHHSA-N
• XLogP: 12.34
• TPSA: 295.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1314.55
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

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-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide?

The IUPAC name of 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide (CID 159706508) is 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide.

What is the SMILES notation for 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide?

The canonical SMILES for 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide is CC(C)(C)CCCOC1CCN(c2ccc(C(=O)NS(=O)(=O)c3cccc(NCCC[C@@H]4CCC(C)(C)C4)n3)c(Cl)n2)C1=O.CC(C)(C)CCCOC1CCN(c2ccc(C(=O)O)c(Cl)n2)C1=O.CC1(C)CC[C@@H](CCCNc2cccc(S(N)(=O)=O)n2)C1.

What is the InChIKey of 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide?

The InChIKey is MYGYAZSMCGJXLL-BDXVFVHHSA-N. The full InChI is InChI=1S/C32H46ClN5O5S.C17H23ClN2O4.C15H25N3O2S/c1-31(2,3)16-8-20-43-24-15-19-38(30(24)40)26-13-12-23(28(33)36-26)29(39)37-44(41,42)27-11-6-10-25(35-27)34-18-7-9-22-14-17-32(4,5)21-22;1-17(2,3)8-4-10-24-12-7-9-20(15(12)21)13-6-5-11(16(22)23)14(18)19-13;1-15(2)9-8-12(11-15)5-4-10-17-13-6-3-7-14(18-13)21(16,19)20/h6,10-13,22,24H,7-9,14-21H2,1-5H3,(H,34,35)(H,37,39);5-6,12H,4,7-10H2,1-3H3,(H,22,23);3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,18)(H2,16,19,20)/t22-,24?;;12-/m1.1/s1.

What are the key properties of 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide?

2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide has a molecular weight of 1314.55 g/mol, XLogP of 12.34, 25 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(4,4-dimethylpentoxy)-2-oxopyrrolidin-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide is sourced from PubChem (CID 159706508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).