N-[(6-amino-2-pyridinyl)sulfonyl]-5-[(E)-5-methylhex-1-enyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C25H35N5O3S — CID 175515110

About N-[(6-amino-2-pyridinyl)sulfonyl]-5-[(E)-5-methylhex-1-enyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-5-[(E)-5-methylhex-1-enyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515110) has the molecular formula C25H35N5O3S and a molecular weight of 485.65 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-5-[(E)-5-methylhex-1-enyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-[(E)-5-methylhex-1-enyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• PubChem CID: 175515110
• Molecular Formula: C25H35N5O3S
• Molecular Weight: 485.65 g/mol
• Exact Mass: 485.25
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-5-[(E)-5-methylhex-1-enyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
• SMILES: CC(C)CC/C=C/c1cnc(N2CCC(C)C2(C)C)c(C(=O)NS(=O)(=O)c2cccc(N)n2)c1
• InChI: InChI=1S/C25H35N5O3S/c1-17(2)9-6-7-10-19-15-20(23(27-16-19)30-14-13-18(3)25(30,4)5)24(31)29-34(32,33)22-12-8-11-21(26)28-22/h7-8,10-12,15-18H,6,9,13-14H2,1-5H3,(H2,26,28)(H,29,31)/b10-7+
• InChIKey: MLKIYESIIQXMMA-JXMROGBWSA-N
• XLogP: 4.25
• TPSA: 118.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.65
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[(E)-5-methylhex-1-enyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[(E)-5-methylhex-1-enyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515110) is N-[(6-amino-2-pyridinyl)sulfonyl]-5-[(E)-5-methylhex-1-enyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-5-[(E)-5-methylhex-1-enyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-5-[(E)-5-methylhex-1-enyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC(C)CC/C=C/c1cnc(N2CCC(C)C2(C)C)c(C(=O)NS(=O)(=O)c2cccc(N)n2)c1.

What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[(E)-5-methylhex-1-enyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

The InChIKey is MLKIYESIIQXMMA-JXMROGBWSA-N. The full InChI is InChI=1S/C25H35N5O3S/c1-17(2)9-6-7-10-19-15-20(23(27-16-19)30-14-13-18(3)25(30,4)5)24(31)29-34(32,33)22-12-8-11-21(26)28-22/h7-8,10-12,15-18H,6,9,13-14H2,1-5H3,(H2,26,28)(H,29,31)/b10-7+.

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-5-[(E)-5-methylhex-1-enyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-5-[(E)-5-methylhex-1-enyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 485.65 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-pyridinyl)sulfonyl]-5-[(E)-5-methylhex-1-enyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).