N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide

C16H17ClN8O3S — CID 59548222

About N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 59548222) has the molecular formula C16H17ClN8O3S and a molecular weight of 436.89 g/mol. Its IUPAC name is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide
• PubChem CID: 59548222
• Molecular Formula: C16H17ClN8O3S
• Molecular Weight: 436.89 g/mol
• Exact Mass: 436.08
• IUPAC Name: N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide
• SMILES: COc1ncc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cc1NS(C)(=O)=O
• InChI: InChI=1S/C16H17ClN8O3S/c1-8-21-14(24-16(18)22-8)11-4-9(17)6-19-13(11)23-10-5-12(25-29(3,26)27)15(28-2)20-7-10/h4-7,25H,1-3H3,(H,19,23)(H2,18,21,22,24)
• InChIKey: HXWDVFRJZSNMJG-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 157.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.89
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide?

The IUPAC name of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide (CID 59548222) is N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide.

What is the SMILES notation for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide?

The canonical SMILES for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(Nc2ncc(Cl)cc2-c2nc(C)nc(N)n2)cc1NS(C)(=O)=O.

What is the InChIKey of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide?

The InChIKey is HXWDVFRJZSNMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN8O3S/c1-8-21-14(24-16(18)22-8)11-4-9(17)6-19-13(11)23-10-5-12(25-29(3,26)27)15(28-2)20-7-10/h4-7,25H,1-3H3,(H,19,23)(H2,18,21,22,24).

What are the key properties of N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide?

N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 436.89 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-chloro-2-pyridinyl]amino]-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 59548222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).