N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide

C24H24N6O3 — CID 171635393

About N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide

N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide (PubChem CID 171635393) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide.

Molecular Properties

• Compound Name: N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide
• PubChem CID: 171635393
• Molecular Formula: C24H24N6O3
• Molecular Weight: 444.50 g/mol
• Exact Mass: 444.19
• IUPAC Name: N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide
• SMILES: COc1ccc(CNC(=O)c2cccc(Oc3ccnc(Nc4ccn(C)n4)c3)c2C)cn1
• InChI: InChI=1S/C24H24N6O3/c1-16-19(24(31)27-15-17-7-8-23(32-3)26-14-17)5-4-6-20(16)33-18-9-11-25-22(13-18)28-21-10-12-30(2)29-21/h4-14H,15H2,1-3H3,(H,27,31)(H,25,28,29)
• InChIKey: VVXWXXLTXKXEGQ-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 103.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.50
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide?

The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide (CID 171635393) is N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide.

What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide?

The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide is COc1ccc(CNC(=O)c2cccc(Oc3ccnc(Nc4ccn(C)n4)c3)c2C)cn1.

What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide?

The InChIKey is VVXWXXLTXKXEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-16-19(24(31)27-15-17-7-8-23(32-3)26-14-17)5-4-6-20(16)33-18-9-11-25-22(13-18)28-21-10-12-30(2)29-21/h4-14H,15H2,1-3H3,(H,27,31)(H,25,28,29).

What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide?

N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide has a molecular weight of 444.50 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[[2-[(1-methylpyrazol-3-yl)amino]-4-pyridinyl]oxy]benzamide is sourced from PubChem (CID 171635393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).