4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide

C27H24N6O5 — CID 23614583

About 4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 23614583) has the molecular formula C27H24N6O5 and a molecular weight of 512.53 g/mol. Its IUPAC name is 4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide
• PubChem CID: 23614583
• Molecular Formula: C27H24N6O5
• Molecular Weight: 512.53 g/mol
• Exact Mass: 512.18
• IUPAC Name: 4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1cc(Oc2ccc(N(C(N)=O)c3ccc(Oc4ccnc(C(=O)NC)c4)cc3)cc2)ccn1
• InChI: InChI=1S/C27H24N6O5/c1-29-25(34)23-15-21(11-13-31-23)37-19-7-3-17(4-8-19)33(27(28)36)18-5-9-20(10-6-18)38-22-12-14-32-24(16-22)26(35)30-2/h3-16H,1-2H3,(H2,28,36)(H,29,34)(H,30,35)
• InChIKey: IDYOOVONIPRXND-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 148.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.53
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide?

The IUPAC name of 4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide (CID 23614583) is 4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(N(C(N)=O)c3ccc(Oc4ccnc(C(=O)NC)c4)cc3)cc2)ccn1.

What is the InChIKey of 4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide?

The InChIKey is IDYOOVONIPRXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O5/c1-29-25(34)23-15-21(11-13-31-23)37-19-7-3-17(4-8-19)33(27(28)36)18-5-9-20(10-6-18)38-22-12-14-32-24(16-22)26(35)30-2/h3-16H,1-2H3,(H2,28,36)(H,29,34)(H,30,35).

What are the key properties of 4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide?

4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 512.53 g/mol, XLogP of 4.00, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[N-carbamoyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]anilino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 23614583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).