4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide

C26H23FN6O — CID 171520659

About 4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide

4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide (PubChem CID 171520659) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is 4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide
• PubChem CID: 171520659
• Molecular Formula: C26H23FN6O
• Molecular Weight: 454.51 g/mol
• Exact Mass: 454.19
• IUPAC Name: 4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide
• SMILES: CNc1ncc2cc(-c3cc(NC(=O)c4cc(C(C)(C)C#N)ccn4)ccc3C)cnc2c1F
• InChI: InChI=1S/C26H23FN6O/c1-15-5-6-19(33-25(34)21-10-18(7-8-30-21)26(2,3)14-28)11-20(15)16-9-17-13-32-24(29-4)22(27)23(17)31-12-16/h5-13H,1-4H3,(H,29,32)(H,33,34)
• InChIKey: OXOFWPKROQWBMX-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 103.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.51
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide?

The IUPAC name of 4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide (CID 171520659) is 4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide?

The canonical SMILES for 4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide is CNc1ncc2cc(-c3cc(NC(=O)c4cc(C(C)(C)C#N)ccn4)ccc3C)cnc2c1F.

What is the InChIKey of 4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide?

The InChIKey is OXOFWPKROQWBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O/c1-15-5-6-19(33-25(34)21-10-18(7-8-30-21)26(2,3)14-28)11-20(15)16-9-17-13-32-24(29-4)22(27)23(17)31-12-16/h5-13H,1-4H3,(H,29,32)(H,33,34).

What are the key properties of 4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide?

4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide has a molecular weight of 454.51 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide is sourced from PubChem (CID 171520659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).