2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide

C24H20F3N5O2 — CID 70875244

About 2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide

2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 70875244) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is 2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide
• PubChem CID: 70875244
• Molecular Formula: C24H20F3N5O2
• Molecular Weight: 467.45 g/mol
• Exact Mass: 467.16
• IUPAC Name: 2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide
• SMILES: O=C(NCC1=CC=C(C(F)(F)F)NC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
• InChI: InChI=1S/C24H20F3N5O2/c25-24(26,27)20-11-6-16(14-30-20)15-31-22(33)19-4-3-13-29-23(19)34-18-9-7-17(8-10-18)32-21-5-1-2-12-28-21/h1-13,30H,14-15H2,(H,28,32)(H,31,33)
• InChIKey: BPFXNRNJYIPCME-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 88.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.45
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide?

The IUPAC name of 2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide (CID 70875244) is 2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for 2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide?

The canonical SMILES for 2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide is O=C(NCC1=CC=C(C(F)(F)F)NC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.

What is the InChIKey of 2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide?

The InChIKey is BPFXNRNJYIPCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c25-24(26,27)20-11-6-16(14-30-20)15-31-22(33)19-4-3-13-29-23(19)34-18-9-7-17(8-10-18)32-21-5-1-2-12-28-21/h1-13,30H,14-15H2,(H,28,32)(H,31,33).

What are the key properties of 2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide?

2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 467.45 g/mol, XLogP of 4.72, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 70875244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).