4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide

C24H29FN6O2 — CID 123774061

About 4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide

4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide (PubChem CID 123774061) has the molecular formula C24H29FN6O2 and a molecular weight of 452.53 g/mol. Its IUPAC name is 4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide
• PubChem CID: 123774061
• Molecular Formula: C24H29FN6O2
• Molecular Weight: 452.53 g/mol
• Exact Mass: 452.23
• IUPAC Name: 4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide
• SMILES: CC(C)(O)C(F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CCCC1
• InChI: InChI=1S/C24H29FN6O2/c1-24(2,33)21(25)14-29-23(32)17-13-28-22(12-19(17)30-15-5-3-4-6-15)31-16-7-8-18-20(11-16)27-10-9-26-18/h7-13,15,21,33H,3-6,14H2,1-2H3,(H,29,32)(H2,28,30,31)
• InChIKey: OBILQSPBZJEOLB-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 112.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.53
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide?

The IUPAC name of 4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide (CID 123774061) is 4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for 4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide?

The canonical SMILES for 4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CCCC1.

What is the InChIKey of 4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide?

The InChIKey is OBILQSPBZJEOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O2/c1-24(2,33)21(25)14-29-23(32)17-13-28-22(12-19(17)30-15-5-3-4-6-15)31-16-7-8-18-20(11-16)27-10-9-26-18/h7-13,15,21,33H,3-6,14H2,1-2H3,(H,29,32)(H2,28,30,31).

What are the key properties of 4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide?

4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide has a molecular weight of 452.53 g/mol, XLogP of 3.96, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 123774061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).