5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide

C25H21ClFN5O5 — CID 121245923

About 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide

5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide (PubChem CID 121245923) has the molecular formula C25H21ClFN5O5 and a molecular weight of 525.92 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide
• PubChem CID: 121245923
• Molecular Formula: C25H21ClFN5O5
• Molecular Weight: 525.92 g/mol
• Exact Mass: 525.12
• IUPAC Name: 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide
• SMILES: COc1cn(C(Cc2cc(C)no2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1F
• InChI: InChI=1S/C25H21ClFN5O5/c1-13-7-16(37-31-13)9-21(25(35)30-15-4-6-20(24(28)34)29-11-15)32-12-22(36-2)18(10-23(32)33)17-8-14(26)3-5-19(17)27/h3-8,10-12,21H,9H2,1-2H3,(H2,28,34)(H,30,35)
• InChIKey: CSHULKNHHBUZFS-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 142.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.92
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide?

The IUPAC name of 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide (CID 121245923) is 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide is COc1cn(C(Cc2cc(C)no2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1F.

What is the InChIKey of 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide?

The InChIKey is CSHULKNHHBUZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN5O5/c1-13-7-16(37-31-13)9-21(25(35)30-15-4-6-20(24(28)34)29-11-15)32-12-22(36-2)18(10-23(32)33)17-8-14(26)3-5-19(17)27/h3-8,10-12,21H,9H2,1-2H3,(H2,28,34)(H,30,35).

What are the key properties of 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide?

5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide has a molecular weight of 525.92 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyl-1,2-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 121245923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).