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

C26H22ClF2N5O5 — CID 158742390

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

5-[3-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-oxopentyl]pyridine-2-carboxamide (PubChem CID 158742390) has the molecular formula C26H22ClF2N5O5 and a molecular weight of 557.94 g/mol. Its IUPAC name is 5-[3-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-oxopentyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[3-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-oxopentyl]pyridine-2-carboxamide
• PubChem CID: 158742390
• Molecular Formula: C26H22ClF2N5O5
• Molecular Weight: 557.94 g/mol
• Exact Mass: 557.13
• IUPAC Name: 5-[3-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-oxopentyl]pyridine-2-carboxamide
• SMILES: CCC(C(=O)Cc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)F)o2)cc1=O
• InChI: InChI=1S/C26H22ClF2N5O5/c1-3-19(20(35)8-13-4-7-18(24(30)37)31-11-13)34-12-21(38-2)17(10-22(34)36)16-9-14(27)5-6-15(16)25-32-33-26(39-25)23(28)29/h4-7,9-12,19,23H,3,8H2,1-2H3,(H2,30,37)
• InChIKey: IMLOTIFWFNLAQR-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 143.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.94
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-[3-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-oxopentyl]pyridine-2-carboxamide (CID 158742390) is 5-[3-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-oxopentyl]pyridine-2-carboxamide.

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

The canonical SMILES for 5-[3-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-oxopentyl]pyridine-2-carboxamide is CCC(C(=O)Cc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2-c2nnc(C(F)F)o2)cc1=O.

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

The InChIKey is IMLOTIFWFNLAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF2N5O5/c1-3-19(20(35)8-13-4-7-18(24(30)37)31-11-13)34-12-21(38-2)17(10-22(34)36)16-9-14(27)5-6-15(16)25-32-33-26(39-25)23(28)29/h4-7,9-12,19,23H,3,8H2,1-2H3,(H2,30,37).

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

5-[3-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-oxopentyl]pyridine-2-carboxamide has a molecular weight of 557.94 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-2-oxopentyl]pyridine-2-carboxamide is sourced from PubChem (CID 158742390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).