5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide

C21H21FN6O — CID 122295763

About 5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide

5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 122295763) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
• PubChem CID: 122295763
• Molecular Formula: C21H21FN6O
• Molecular Weight: 392.44 g/mol
• Exact Mass: 392.18
• IUPAC Name: 5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
• SMILES: Cc1cc(Nc2ccc(NC(=O)c3cncc(F)c3)cc2)nc(N2CCCC2)n1
• InChI: InChI=1S/C21H21FN6O/c1-14-10-19(27-21(24-14)28-8-2-3-9-28)25-17-4-6-18(7-5-17)26-20(29)15-11-16(22)13-23-12-15/h4-7,10-13H,2-3,8-9H2,1H3,(H,26,29)(H,24,25,27)
• InChIKey: NQPZLYDMYVGYKT-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 83.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.44
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide?

The IUPAC name of 5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide (CID 122295763) is 5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide is Cc1cc(Nc2ccc(NC(=O)c3cncc(F)c3)cc2)nc(N2CCCC2)n1.

What is the InChIKey of 5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide?

The InChIKey is NQPZLYDMYVGYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-14-10-19(27-21(24-14)28-8-2-3-9-28)25-17-4-6-18(7-5-17)26-20(29)15-11-16(22)13-23-12-15/h4-7,10-13H,2-3,8-9H2,1H3,(H,26,29)(H,24,25,27).

What are the key properties of 5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide?

5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 392.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 122295763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).