6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide

C23H21N5O2S — CID 169196493

About 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide

6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide (PubChem CID 169196493) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide
• PubChem CID: 169196493
• Molecular Formula: C23H21N5O2S
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.14
• IUPAC Name: 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide
• SMILES: CC(C)c1nc(-c2ccccc2)c(Oc2ccnc(Nc3cccc(C(N)=O)n3)c2)s1
• InChI: InChI=1S/C23H21N5O2S/c1-14(2)22-28-20(15-7-4-3-5-8-15)23(31-22)30-16-11-12-25-19(13-16)27-18-10-6-9-17(26-18)21(24)29/h3-14H,1-2H3,(H2,24,29)(H,25,26,27)
• InChIKey: WITNIENCIQFBOC-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 103.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide?

The IUPAC name of 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide (CID 169196493) is 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide is CC(C)c1nc(-c2ccccc2)c(Oc2ccnc(Nc3cccc(C(N)=O)n3)c2)s1.

What is the InChIKey of 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide?

The InChIKey is WITNIENCIQFBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-14(2)22-28-20(15-7-4-3-5-8-15)23(31-22)30-16-11-12-25-19(13-16)27-18-10-6-9-17(26-18)21(24)29/h3-14H,1-2H3,(H2,24,29)(H,25,26,27).

What are the key properties of 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide?

6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 169196493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).