2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C18H17N5O4 — CID 126416871

About 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 126416871) has the molecular formula C18H17N5O4 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
• PubChem CID: 126416871
• Molecular Formula: C18H17N5O4
• Molecular Weight: 367.37 g/mol
• Exact Mass: 367.13
• IUPAC Name: 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
• SMILES: COCc1cc(C)n(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(=O)c1C#N
• InChI: InChI=1S/C18H17N5O4/c1-10-5-11(9-27-2)13(7-19)17(25)23(10)8-16(24)20-12-3-4-14-15(6-12)22-18(26)21-14/h3-6H,8-9H2,1-2H3,(H,20,24)(H2,21,22,26)
• InChIKey: SPLDIIWYIIYRST-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 132.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.37
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?

The IUPAC name of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 126416871) is 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

What is the SMILES notation for 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?

The canonical SMILES for 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is COCc1cc(C)n(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(=O)c1C#N.

What is the InChIKey of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?

The InChIKey is SPLDIIWYIIYRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4/c1-10-5-11(9-27-2)13(7-19)17(25)23(10)8-16(24)20-12-3-4-14-15(6-12)22-18(26)21-14/h3-6H,8-9H2,1-2H3,(H,20,24)(H2,21,22,26).

What are the key properties of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?

2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 367.37 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 126416871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).