N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxamide

C19H16F2N4O3 — CID 138683825

About N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxamide

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxamide (PubChem CID 138683825) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxamide
• PubChem CID: 138683825
• Molecular Formula: C19H16F2N4O3
• Molecular Weight: 386.36 g/mol
• Exact Mass: 386.12
• IUPAC Name: N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxamide
• SMILES: N#CC1CC(F)(F)CN1C(=O)CNC(=O)c1ccc(=O)[nH]c1-c1ccccc1
• InChI: InChI=1S/C19H16F2N4O3/c20-19(21)8-13(9-22)25(11-19)16(27)10-23-18(28)14-6-7-15(26)24-17(14)12-4-2-1-3-5-12/h1-7,13H,8,10-11H2,(H,23,28)(H,24,26)
• InChIKey: UYHWCIJMPYUBFL-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 106.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.36
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxamide?

The IUPAC name of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxamide (CID 138683825) is N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxamide is N#CC1CC(F)(F)CN1C(=O)CNC(=O)c1ccc(=O)[nH]c1-c1ccccc1.

What is the InChIKey of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxamide?

The InChIKey is UYHWCIJMPYUBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c20-19(21)8-13(9-22)25(11-19)16(27)10-23-18(28)14-6-7-15(26)24-17(14)12-4-2-1-3-5-12/h1-7,13H,8,10-11H2,(H,23,28)(H,24,26).

What are the key properties of N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxamide?

N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 386.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-cyano-4,4-difluoropyrrolidin-1-yl)-2-oxoethyl]-6-oxo-2-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 138683825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).