5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide

C23H27FN4O2 — CID 53239443

About 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide

5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide (PubChem CID 53239443) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide
• PubChem CID: 53239443
• Molecular Formula: C23H27FN4O2
• Molecular Weight: 410.49 g/mol
• Exact Mass: 410.21
• IUPAC Name: 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide
• SMILES: CCCNn1c(C)c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)c(C#N)c1=O
• InChI: InChI=1S/C23H27FN4O2/c1-4-11-26-28-15(3)20(14(2)19(13-25)23(28)30)22(29)27-21(16-7-5-8-16)17-9-6-10-18(24)12-17/h6,9-10,12,16,21,26H,4-5,7-8,11H2,1-3H3,(H,27,29)/t21-/m0/s1
• InChIKey: LOYZMYPAGWVNLR-NRFANRHFSA-N
• XLogP: 3.70
• TPSA: 86.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.49
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide?

The IUPAC name of 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide (CID 53239443) is 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide.

What is the SMILES notation for 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide?

The canonical SMILES for 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide is CCCNn1c(C)c(C(=O)N[C@H](c2cccc(F)c2)C2CCC2)c(C)c(C#N)c1=O.

What is the InChIKey of 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide?

The InChIKey is LOYZMYPAGWVNLR-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-4-11-26-28-15(3)20(14(2)19(13-25)23(28)30)22(29)27-21(16-7-5-8-16)17-9-6-10-18(24)12-17/h6,9-10,12,16,21,26H,4-5,7-8,11H2,1-3H3,(H,27,29)/t21-/m0/s1.

What are the key properties of 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide?

5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide has a molecular weight of 410.49 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 53239443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).