4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C26H30ClN5O3S — CID 153427570

About 4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 153427570) has the molecular formula C26H30ClN5O3S and a molecular weight of 528.08 g/mol. Its IUPAC name is 4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 153427570
• Molecular Formula: C26H30ClN5O3S
• Molecular Weight: 528.08 g/mol
• Exact Mass: 527.18
• IUPAC Name: 4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CN(c2nccc(S(=O)(=O)c3cccc(N(C)Cc4ccccc4Cl)n3)c2C(N)=O)C(C)(C)C1
• InChI: InChI=1S/C26H30ClN5O3S/c1-17-14-26(2,3)32(15-17)25-23(24(28)33)20(12-13-29-25)36(34,35)22-11-7-10-21(30-22)31(4)16-18-8-5-6-9-19(18)27/h5-13,17H,14-16H2,1-4H3,(H2,28,33)
• InChIKey: ACWNLSLBCPRJJH-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 109.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.08
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of 4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 153427570) is 4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for 4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for 4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nccc(S(=O)(=O)c3cccc(N(C)Cc4ccccc4Cl)n3)c2C(N)=O)C(C)(C)C1.

What is the InChIKey of 4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is ACWNLSLBCPRJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O3S/c1-17-14-26(2,3)32(15-17)25-23(24(28)33)20(12-13-29-25)36(34,35)22-11-7-10-21(30-22)31(4)16-18-8-5-6-9-19(18)27/h5-13,17H,14-16H2,1-4H3,(H2,28,33).

What are the key properties of 4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 528.08 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153427570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).