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

C25H33N7O3S — CID 121250929

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

N-[[6-[3-(3-methylpyrazol-1-yl)propylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121250929) has the molecular formula C25H33N7O3S and a molecular weight of 511.65 g/mol. Its IUPAC name is N-[[6-[3-(3-methylpyrazol-1-yl)propylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[6-[3-(3-methylpyrazol-1-yl)propylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 121250929
• Molecular Formula: C25H33N7O3S
• Molecular Weight: 511.65 g/mol
• Exact Mass: 511.24
• IUPAC Name: N-[[6-[3-(3-methylpyrazol-1-yl)propylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: Cc1ccn(CCCNc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)n1
• InChI: InChI=1S/C25H33N7O3S/c1-18-16-25(3,4)32(17-18)23-20(8-6-12-27-23)24(33)30-36(34,35)22-10-5-9-21(28-22)26-13-7-14-31-15-11-19(2)29-31/h5-6,8-12,15,18H,7,13-14,16-17H2,1-4H3,(H,26,28)(H,30,33)
• InChIKey: KODYYCMBBDFEFX-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 122.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.65
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[[6-[3-(3-methylpyrazol-1-yl)propylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121250929) is N-[[6-[3-(3-methylpyrazol-1-yl)propylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

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

The canonical SMILES for N-[[6-[3-(3-methylpyrazol-1-yl)propylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is Cc1ccn(CCCNc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)n1.

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

The InChIKey is KODYYCMBBDFEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O3S/c1-18-16-25(3,4)32(17-18)23-20(8-6-12-27-23)24(33)30-36(34,35)22-10-5-9-21(28-22)26-13-7-14-31-15-11-19(2)29-31/h5-6,8-12,15,18H,7,13-14,16-17H2,1-4H3,(H,26,28)(H,30,33).

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

N-[[6-[3-(3-methylpyrazol-1-yl)propylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 511.65 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[3-(3-methylpyrazol-1-yl)propylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121250929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).