5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide

C22H18FN7O — CID 90224957

About 5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide

5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide (PubChem CID 90224957) has the molecular formula C22H18FN7O and a molecular weight of 415.43 g/mol. Its IUPAC name is 5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
• PubChem CID: 90224957
• Molecular Formula: C22H18FN7O
• Molecular Weight: 415.43 g/mol
• Exact Mass: 415.16
• IUPAC Name: 5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide
• SMILES: Cc1ccc(Nc2ncccn2)cc1-c1cnc(NC(=O)c2cncc(F)c2C)cn1
• InChI: InChI=1S/C22H18FN7O/c1-13-4-5-15(29-22-25-6-3-7-26-22)8-16(13)19-11-28-20(12-27-19)30-21(31)17-9-24-10-18(23)14(17)2/h3-12H,1-2H3,(H,25,26,29)(H,28,30,31)
• InChIKey: QRKZXAMXRXAROA-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 105.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.43
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide?

The IUPAC name of 5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide (CID 90224957) is 5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide is Cc1ccc(Nc2ncccn2)cc1-c1cnc(NC(=O)c2cncc(F)c2C)cn1.

What is the InChIKey of 5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide?

The InChIKey is QRKZXAMXRXAROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O/c1-13-4-5-15(29-22-25-6-3-7-26-22)8-16(13)19-11-28-20(12-27-19)30-21(31)17-9-24-10-18(23)14(17)2/h3-12H,1-2H3,(H,25,26,29)(H,28,30,31).

What are the key properties of 5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide?

5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-4-methyl-N-[5-[2-methyl-5-(pyrimidin-2-ylamino)phenyl]pyrazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 90224957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).