N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

C18H19N7O3S — CID 70814569

About N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (PubChem CID 70814569) has the molecular formula C18H19N7O3S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

• Compound Name: N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
• PubChem CID: 70814569
• Molecular Formula: C18H19N7O3S
• Molecular Weight: 413.46 g/mol
• Exact Mass: 413.13
• IUPAC Name: N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
• SMILES: Cc1nc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nc(-c2ccccn2)n1
• InChI: InChI=1S/C18H19N7O3S/c1-12-21-16(14-6-2-3-7-19-14)23-18(22-12)24-29(27,28)13-10-15(20-11-13)17(26)25-8-4-5-9-25/h2-3,6-7,10-11,20H,4-5,8-9H2,1H3,(H,21,22,23,24)
• InChIKey: BAVJVZJYURPHRX-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 133.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.46
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?

The IUPAC name of N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide (CID 70814569) is N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide.

What is the SMILES notation for N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?

The canonical SMILES for N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is Cc1nc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nc(-c2ccccn2)n1.

What is the InChIKey of N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?

The InChIKey is BAVJVZJYURPHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O3S/c1-12-21-16(14-6-2-3-7-19-14)23-18(22-12)24-29(27,28)13-10-15(20-11-13)17(26)25-8-4-5-9-25/h2-3,6-7,10-11,20H,4-5,8-9H2,1H3,(H,21,22,23,24).

What are the key properties of N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide?

N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 413.46 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 70814569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).