N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid

C28H26F3N5O5 — CID 53308719

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 53308719) has the molecular formula C28H26F3N5O5 and a molecular weight of 569.54 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 53308719
• Molecular Formula: C28H26F3N5O5
• Molecular Weight: 569.54 g/mol
• Exact Mass: 569.19
• IUPAC Name: N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2cncnc2)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C26H25N5O3.C2HF3O2/c1-26(2,3)30-24(32)23(19-6-4-12-27-14-19)31(25(33)22-7-5-13-34-22)21-10-8-18(9-11-21)20-15-28-17-29-16-20;3-2(4,5)1(6)7/h4-17,23H,1-3H3,(H,30,32);(H,6,7)
• InChIKey: YCCATIAYQYONCC-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 138.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.54
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid (CID 53308719) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid is CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2cncnc2)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is YCCATIAYQYONCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3.C2HF3O2/c1-26(2,3)30-24(32)23(19-6-4-12-27-14-19)31(25(33)22-7-5-13-34-22)21-10-8-18(9-11-21)20-15-28-17-29-16-20;3-2(4,5)1(6)7/h4-17,23H,1-3H3,(H,30,32);(H,6,7).

What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid?

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 569.54 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-pyrimidin-5-ylphenyl)furan-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 53308719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).