2,6-dichloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide

C21H26Cl2N4O3S — CID 160533245

About 2,6-dichloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide

2,6-dichloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide (PubChem CID 160533245) has the molecular formula C21H26Cl2N4O3S and a molecular weight of 485.44 g/mol. Its IUPAC name is 2,6-dichloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2,6-dichloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide
• PubChem CID: 160533245
• Molecular Formula: C21H26Cl2N4O3S
• Molecular Weight: 485.44 g/mol
• Exact Mass: 484.11
• IUPAC Name: 2,6-dichloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide
• SMILES: CC1(C)CC[C@@H](CCCNc2cccc(S(=O)(=O)NC(=O)c3ccc(Cl)nc3Cl)n2)C1
• InChI: InChI=1S/C21H26Cl2N4O3S/c1-21(2)11-10-14(13-21)5-4-12-24-17-6-3-7-18(26-17)31(29,30)27-20(28)15-8-9-16(22)25-19(15)23/h3,6-9,14H,4-5,10-13H2,1-2H3,(H,24,26)(H,27,28)/t14-/m1/s1
• InChIKey: RCVCZDKDYYEVQZ-CQSZACIVSA-N
• XLogP: 4.92
• TPSA: 101.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.44
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide?

The IUPAC name of 2,6-dichloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide (CID 160533245) is 2,6-dichloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide.

What is the SMILES notation for 2,6-dichloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide?

The canonical SMILES for 2,6-dichloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide is CC1(C)CC[C@@H](CCCNc2cccc(S(=O)(=O)NC(=O)c3ccc(Cl)nc3Cl)n2)C1.

What is the InChIKey of 2,6-dichloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide?

The InChIKey is RCVCZDKDYYEVQZ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26Cl2N4O3S/c1-21(2)11-10-14(13-21)5-4-12-24-17-6-3-7-18(26-17)31(29,30)27-20(28)15-8-9-16(22)25-19(15)23/h3,6-9,14H,4-5,10-13H2,1-2H3,(H,24,26)(H,27,28)/t14-/m1/s1.

What are the key properties of 2,6-dichloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide?

2,6-dichloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide has a molecular weight of 485.44 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-N-[[6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]-2-pyridinyl]sulfonyl]pyridine-3-carboxamide is sourced from PubChem (CID 160533245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).