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

C58H80Cl2N12O9S2 — CID 159050779

About 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-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-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide (PubChem CID 159050779) has the molecular formula C58H80Cl2N12O9S2 and a molecular weight of 1224.39 g/mol. Its IUPAC name is 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-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-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide
• PubChem CID: 159050779
• Molecular Formula: C58H80Cl2N12O9S2
• Molecular Weight: 1224.39 g/mol
• Exact Mass: 1222.50
• IUPAC Name: 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide
• SMILES: CC(C)(C)COc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3cccc(NCCC[C@@H]4CCC(C)(C)C4)n3)c(Cl)n2)n1.CC(C)(C)COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1.CC1(C)CC[C@@H](CCCNc2cccc(S(N)(=O)=O)n2)C1
• InChI: InChI=1S/C29H39ClN6O4S.C15H25N3O2S.C14H16ClN3O3/c1-28(2,3)19-40-24-14-17-36(34-24)23-12-11-21(26(30)33-23)27(37)35-41(38,39)25-10-6-9-22(32-25)31-16-7-8-20-13-15-29(4,5)18-20;1-15(2)9-8-12(11-15)5-4-10-17-13-6-3-7-14(18-13)21(16,19)20;1-14(2,3)8-21-11-6-7-18(17-11)10-5-4-9(13(19)20)12(15)16-10/h6,9-12,14,17,20H,7-8,13,15-16,18-19H2,1-5H3,(H,31,32)(H,35,37);3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,18)(H2,16,19,20);4-7H,8H2,1-3H3,(H,19,20)/t20-;12-;/m11./s1
• InChIKey: JXFVLKHNDVBUBX-DTVVRTCNSA-N
• XLogP: 11.67
• TPSA: 290.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1224.39
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

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-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-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-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide (CID 159050779) is 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-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-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-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-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide is CC(C)(C)COc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3cccc(NCCC[C@@H]4CCC(C)(C)C4)n3)c(Cl)n2)n1.CC(C)(C)COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1.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-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide?

The InChIKey is JXFVLKHNDVBUBX-DTVVRTCNSA-N. The full InChI is InChI=1S/C29H39ClN6O4S.C15H25N3O2S.C14H16ClN3O3/c1-28(2,3)19-40-24-14-17-36(34-24)23-12-11-21(26(30)33-23)27(37)35-41(38,39)25-10-6-9-22(32-25)31-16-7-8-20-13-15-29(4,5)18-20;1-15(2)9-8-12(11-15)5-4-10-17-13-6-3-7-14(18-13)21(16,19)20;1-14(2,3)8-21-11-6-7-18(17-11)10-5-4-9(13(19)20)12(15)16-10/h6,9-12,14,17,20H,7-8,13,15-16,18-19H2,1-5H3,(H,31,32)(H,35,37);3,6-7,12H,4-5,8-11H2,1-2H3,(H,17,18)(H2,16,19,20);4-7H,8H2,1-3H3,(H,19,20)/t20-;12-;/m11./s1.

What are the key properties of 2-chloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-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-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide has a molecular weight of 1224.39 g/mol, XLogP of 11.67, 21 rotatable bonds, 5 hydrogen bond donors, and 18 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-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide is sourced from PubChem (CID 159050779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).