6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide

C24H28FN7O3 — CID 118410835

About 6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide

6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide (PubChem CID 118410835) has the molecular formula C24H28FN7O3 and a molecular weight of 481.53 g/mol. Its IUPAC name is 6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide
• PubChem CID: 118410835
• Molecular Formula: C24H28FN7O3
• Molecular Weight: 481.53 g/mol
• Exact Mass: 481.22
• IUPAC Name: 6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide
• SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(C(N)=O)cc3n2)cc1NC1CCC1
• InChI: InChI=1S/C24H28FN7O3/c1-24(2,35)19(25)12-29-23(34)15-11-28-21(9-17(15)30-14-4-3-5-14)32-20-7-6-16-18(31-20)8-13(10-27-16)22(26)33/h6-11,14,19,35H,3-5,12H2,1-2H3,(H2,26,33)(H,29,34)(H2,28,30,31,32)/t19-/m1/s1
• InChIKey: CFKFZBLYAUKFNB-LJQANCHMSA-N
• XLogP: 2.67
• TPSA: 155.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.53
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide (CID 118410835) is 6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for 6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(C(N)=O)cc3n2)cc1NC1CCC1.

What is the InChIKey of 6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide?

The InChIKey is CFKFZBLYAUKFNB-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28FN7O3/c1-24(2,35)19(25)12-29-23(34)15-11-28-21(9-17(15)30-14-4-3-5-14)32-20-7-6-16-18(31-20)8-13(10-27-16)22(26)33/h6-11,14,19,35H,3-5,12H2,1-2H3,(H2,26,33)(H,29,34)(H2,28,30,31,32)/t19-/m1/s1.

What are the key properties of 6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide?

6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide has a molecular weight of 481.53 g/mol, XLogP of 2.67, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 118410835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).