5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-hydroxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide

C25H21ClF2N6O6 — CID 155468227

About 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-hydroxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide

5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-hydroxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide (PubChem CID 155468227) has the molecular formula C25H21ClF2N6O6 and a molecular weight of 574.93 g/mol. Its IUPAC name is 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-hydroxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-hydroxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
• PubChem CID: 155468227
• Molecular Formula: C25H21ClF2N6O6
• Molecular Weight: 574.93 g/mol
• Exact Mass: 574.12
• IUPAC Name: 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-hydroxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
• SMILES: COCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(O)c(-c2cc(Cl)ccc2-c2nnc(C(F)F)o2)cc1=O
• InChI: InChI=1S/C25H21ClF2N6O6/c1-39-7-6-18(23(38)31-13-3-5-17(22(29)37)30-10-13)34-11-19(35)16(9-20(34)36)15-8-12(26)2-4-14(15)24-32-33-25(40-24)21(27)28/h2-5,8-11,18,21,35H,6-7H2,1H3,(H2,29,37)(H,31,38)
• InChIKey: XSZGPHBKRSLYFQ-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 175.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.93
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-hydroxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?

The IUPAC name of 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-hydroxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide (CID 155468227) is 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-hydroxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-hydroxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-hydroxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide is COCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(O)c(-c2cc(Cl)ccc2-c2nnc(C(F)F)o2)cc1=O.

What is the InChIKey of 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-hydroxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?

The InChIKey is XSZGPHBKRSLYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N6O6/c1-39-7-6-18(23(38)31-13-3-5-17(22(29)37)30-10-13)34-11-19(35)16(9-20(34)36)15-8-12(26)2-4-14(15)24-32-33-25(40-24)21(27)28/h2-5,8-11,18,21,35H,6-7H2,1H3,(H2,29,37)(H,31,38).

What are the key properties of 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-hydroxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?

5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-hydroxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide has a molecular weight of 574.93 g/mol, XLogP of 3.57, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-hydroxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 155468227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).