N-[[6-(2,4-dichloro-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C25H27Cl2N5O3S — CID 175515624

About N-[[6-(2,4-dichloro-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-(2,4-dichloro-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515624) has the molecular formula C25H27Cl2N5O3S and a molecular weight of 548.50 g/mol. Its IUPAC name is N-[[6-(2,4-dichloro-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(2,4-dichloro-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175515624
• Molecular Formula: C25H27Cl2N5O3S
• Molecular Weight: 548.50 g/mol
• Exact Mass: 547.12
• IUPAC Name: N-[[6-(2,4-dichloro-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N(C)c3ccc(Cl)cc3Cl)n2)C1(C)C
• InChI: InChI=1S/C25H27Cl2N5O3S/c1-16-12-14-32(25(16,2)3)23-18(7-6-13-28-23)24(33)30-36(34,35)22-9-5-8-21(29-22)31(4)20-11-10-17(26)15-19(20)27/h5-11,13,15-16H,12,14H2,1-4H3,(H,30,33)
• InChIKey: BPBKOMYUJVKUFO-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.50
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[6-(2,4-dichloro-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515624) is N-[[6-(2,4-dichloro-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[[6-(2,4-dichloro-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(N(C)c3ccc(Cl)cc3Cl)n2)C1(C)C.

What is the InChIKey of N-[[6-(2,4-dichloro-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is BPBKOMYUJVKUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2N5O3S/c1-16-12-14-32(25(16,2)3)23-18(7-6-13-28-23)24(33)30-36(34,35)22-9-5-8-21(29-22)31(4)20-11-10-17(26)15-19(20)27/h5-11,13,15-16H,12,14H2,1-4H3,(H,30,33).

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

N-[[6-(2,4-dichloro-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 548.50 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(2,4-dichloro-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).