ethane;ethylcyclohexane;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-methylanilino)pyridine-2-carbohydrazide

C31H44FN7O2 — CID 143430991

About ethane;ethylcyclohexane;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-methylanilino)pyridine-2-carbohydrazide

ethane;ethylcyclohexane;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-methylanilino)pyridine-2-carbohydrazide (PubChem CID 143430991) has the molecular formula C31H44FN7O2 and a molecular weight of 565.74 g/mol. Its IUPAC name is ethane;ethylcyclohexane;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-methylanilino)pyridine-2-carbohydrazide.

Molecular Properties

• Compound Name: ethane;ethylcyclohexane;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-methylanilino)pyridine-2-carbohydrazide
• PubChem CID: 143430991
• Molecular Formula: C31H44FN7O2
• Molecular Weight: 565.74 g/mol
• Exact Mass: 565.35
• IUPAC Name: ethane;ethylcyclohexane;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-methylanilino)pyridine-2-carbohydrazide
• SMILES: CC.CCC1CCCCC1.Cc1ccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc1
• InChI: InChI=1S/C21H22FN7O2.C8H16.C2H6/c1-14-2-4-15(5-3-14)25-16-6-7-18(23-12-16)20(30)27-28-21-24-13-17(22)19(26-21)29-8-10-31-11-9-29;1-2-8-6-4-3-5-7-8;1-2/h2-7,12-13,25H,8-11H2,1H3,(H,27,30)(H,24,26,28);8H,2-7H2,1H3;1-2H3
• InChIKey: ZFEVINJXFDRCKH-UHFFFAOYSA-N
• XLogP: 6.66
• TPSA: 104.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.74
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;ethylcyclohexane;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-methylanilino)pyridine-2-carbohydrazide?

The IUPAC name of ethane;ethylcyclohexane;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-methylanilino)pyridine-2-carbohydrazide (CID 143430991) is ethane;ethylcyclohexane;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-methylanilino)pyridine-2-carbohydrazide.

What is the SMILES notation for ethane;ethylcyclohexane;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-methylanilino)pyridine-2-carbohydrazide?

The canonical SMILES for ethane;ethylcyclohexane;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-methylanilino)pyridine-2-carbohydrazide is CC.CCC1CCCCC1.Cc1ccc(Nc2ccc(C(=O)NNc3ncc(F)c(N4CCOCC4)n3)nc2)cc1.

What is the InChIKey of ethane;ethylcyclohexane;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-methylanilino)pyridine-2-carbohydrazide?

The InChIKey is ZFEVINJXFDRCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O2.C8H16.C2H6/c1-14-2-4-15(5-3-14)25-16-6-7-18(23-12-16)20(30)27-28-21-24-13-17(22)19(26-21)29-8-10-31-11-9-29;1-2-8-6-4-3-5-7-8;1-2/h2-7,12-13,25H,8-11H2,1H3,(H,27,30)(H,24,26,28);8H,2-7H2,1H3;1-2H3.

What are the key properties of ethane;ethylcyclohexane;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-methylanilino)pyridine-2-carbohydrazide?

ethane;ethylcyclohexane;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-methylanilino)pyridine-2-carbohydrazide has a molecular weight of 565.74 g/mol, XLogP of 6.66, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;ethylcyclohexane;N'-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5-(4-methylanilino)pyridine-2-carbohydrazide is sourced from PubChem (CID 143430991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).