N-[[6-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C26H29ClN4O5S — CID 175515369

About N-[[6-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515369) has the molecular formula C26H29ClN4O5S and a molecular weight of 545.06 g/mol. Its IUPAC name is N-[[6-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175515369
• Molecular Formula: C26H29ClN4O5S
• Molecular Weight: 545.06 g/mol
• Exact Mass: 544.15
• IUPAC Name: N-[[6-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: COc1ccc(Cl)cc1COc1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CCC(C)C2(C)C)n1
• InChI: InChI=1S/C26H29ClN4O5S/c1-17-12-14-31(26(17,2)3)24-20(7-6-13-28-24)25(32)30-37(33,34)23-9-5-8-22(29-23)36-16-18-15-19(27)10-11-21(18)35-4/h5-11,13,15,17H,12,14,16H2,1-4H3,(H,30,32)
• InChIKey: GJEBOIHSYICZKA-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 110.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.06
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[[6-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515369) is N-[[6-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[[6-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[[6-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is COc1ccc(Cl)cc1COc1cccc(S(=O)(=O)NC(=O)c2cccnc2N2CCC(C)C2(C)C)n1.

What is the InChIKey of N-[[6-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is GJEBOIHSYICZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O5S/c1-17-12-14-31(26(17,2)3)24-20(7-6-13-28-24)25(32)30-37(33,34)23-9-5-8-22(29-23)36-16-18-15-19(27)10-11-21(18)35-4/h5-11,13,15,17H,12,14,16H2,1-4H3,(H,30,32).

What are the key properties of N-[[6-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[[6-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 545.06 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).