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

C22H25FN6O2 — CID 123818525

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

4-(cyclopropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide (PubChem CID 123818525) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(cyclopropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide
• PubChem CID: 123818525
• Molecular Formula: C22H25FN6O2
• Molecular Weight: 424.48 g/mol
• Exact Mass: 424.20
• IUPAC Name: 4-(cyclopropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide
• SMILES: CC(C)(O)C(F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CC1
• InChI: InChI=1S/C22H25FN6O2/c1-22(2,31)19(23)12-27-21(30)15-11-26-20(10-17(15)28-13-3-4-13)29-14-5-6-16-18(9-14)25-8-7-24-16/h5-11,13,19,31H,3-4,12H2,1-2H3,(H,27,30)(H2,26,28,29)
• InChIKey: LPBJBUSJEZEQHB-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 112.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.48
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-(cyclopropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide (CID 123818525) is 4-(cyclopropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide.

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

The canonical SMILES for 4-(cyclopropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(Nc2ccc3nccnc3c2)cc1NC1CC1.

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

The InChIKey is LPBJBUSJEZEQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-22(2,31)19(23)12-27-21(30)15-11-26-20(10-17(15)28-13-3-4-13)29-14-5-6-16-18(9-14)25-8-7-24-16/h5-11,13,19,31H,3-4,12H2,1-2H3,(H,27,30)(H2,26,28,29).

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

4-(cyclopropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.18, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclopropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 123818525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).