5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(2-pyrimidin-4-ylethyl)phenyl]ethyl]benzamide;methane

C27H24Cl2N4O2 — CID 158946481

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(2-pyrimidin-4-ylethyl)phenyl]ethyl]benzamide;methane

5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(2-pyrimidin-4-ylethyl)phenyl]ethyl]benzamide;methane (PubChem CID 158946481) has the molecular formula C27H24Cl2N4O2 and a molecular weight of 507.42 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(2-pyrimidin-4-ylethyl)phenyl]ethyl]benzamide;methane.

Molecular Properties

• Compound Name: 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(2-pyrimidin-4-ylethyl)phenyl]ethyl]benzamide;methane
• PubChem CID: 158946481
• Molecular Formula: C27H24Cl2N4O2
• Molecular Weight: 507.42 g/mol
• Exact Mass: 506.13
• IUPAC Name: 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(2-pyrimidin-4-ylethyl)phenyl]ethyl]benzamide;methane
• SMILES: C.O=C(Cc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CCc2ccncn2)cc1
• InChI: InChI=1S/C26H20Cl2N4O2.CH4/c27-20-7-6-19(23(14-20)26(34)32-25-10-8-21(28)15-30-25)13-24(33)18-4-1-17(2-5-18)3-9-22-11-12-29-16-31-22;/h1-2,4-8,10-12,14-16H,3,9,13H2,(H,30,32,34);1H4
• InChIKey: JKWRIVAFBVDNPT-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 84.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.42
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(2-pyrimidin-4-ylethyl)phenyl]ethyl]benzamide;methane?

The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(2-pyrimidin-4-ylethyl)phenyl]ethyl]benzamide;methane (CID 158946481) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(2-pyrimidin-4-ylethyl)phenyl]ethyl]benzamide;methane.

What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(2-pyrimidin-4-ylethyl)phenyl]ethyl]benzamide;methane?

The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(2-pyrimidin-4-ylethyl)phenyl]ethyl]benzamide;methane is C.O=C(Cc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CCc2ccncn2)cc1.

What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(2-pyrimidin-4-ylethyl)phenyl]ethyl]benzamide;methane?

The InChIKey is JKWRIVAFBVDNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl2N4O2.CH4/c27-20-7-6-19(23(14-20)26(34)32-25-10-8-21(28)15-30-25)13-24(33)18-4-1-17(2-5-18)3-9-22-11-12-29-16-31-22;/h1-2,4-8,10-12,14-16H,3,9,13H2,(H,30,32,34);1H4.

What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(2-pyrimidin-4-ylethyl)phenyl]ethyl]benzamide;methane?

5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(2-pyrimidin-4-ylethyl)phenyl]ethyl]benzamide;methane has a molecular weight of 507.42 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-oxo-2-[4-(2-pyrimidin-4-ylethyl)phenyl]ethyl]benzamide;methane is sourced from PubChem (CID 158946481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).