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

C25H18Cl2N6O5 — CID 152708450

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

3-chloro-5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide (PubChem CID 152708450) has the molecular formula C25H18Cl2N6O5 and a molecular weight of 553.36 g/mol. Its IUPAC name is 3-chloro-5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide
• PubChem CID: 152708450
• Molecular Formula: C25H18Cl2N6O5
• Molecular Weight: 553.36 g/mol
• Exact Mass: 552.07
• IUPAC Name: 3-chloro-5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide
• SMILES: COc1cn(C(Cc2cnco2)C(=O)Nc2cnc(C(N)=O)c(Cl)c2)c(=O)cc1-c1cc(Cl)ccc1C#N
• InChI: InChI=1S/C25H18Cl2N6O5/c1-37-21-11-33(22(34)7-18(21)17-4-14(26)3-2-13(17)8-28)20(6-16-10-30-12-38-16)25(36)32-15-5-19(27)23(24(29)35)31-9-15/h2-5,7,9-12,20H,6H2,1H3,(H2,29,35)(H,32,36)
• InChIKey: ZTBXDTIISBMXLE-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 166.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.36
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-chloro-5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide (CID 152708450) is 3-chloro-5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide.

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

The canonical SMILES for 3-chloro-5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide is COc1cn(C(Cc2cnco2)C(=O)Nc2cnc(C(N)=O)c(Cl)c2)c(=O)cc1-c1cc(Cl)ccc1C#N.

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

The InChIKey is ZTBXDTIISBMXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N6O5/c1-37-21-11-33(22(34)7-18(21)17-4-14(26)3-2-13(17)8-28)20(6-16-10-30-12-38-16)25(36)32-15-5-19(27)23(24(29)35)31-9-15/h2-5,7,9-12,20H,6H2,1H3,(H2,29,35)(H,32,36).

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

3-chloro-5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide has a molecular weight of 553.36 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 152708450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).