4-(dimethylamino)-N-[[3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzamide

C28H35N5O2 — CID 75131824

About 4-(dimethylamino)-N-[[3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzamide

4-(dimethylamino)-N-[[3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzamide (PubChem CID 75131824) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-N-[[3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzamide
• PubChem CID: 75131824
• Molecular Formula: C28H35N5O2
• Molecular Weight: 473.62 g/mol
• Exact Mass: 473.28
• IUPAC Name: 4-(dimethylamino)-N-[[3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzamide
• SMILES: CC1=CC(CNC(=O)c2ccc(N(C)C)cc2)C(C(C)C)CC1Cc1nnc(-c2ccncc2)o1
• InChI: InChI=1S/C28H35N5O2/c1-18(2)25-15-22(16-26-31-32-28(35-26)21-10-12-29-13-11-21)19(3)14-23(25)17-30-27(34)20-6-8-24(9-7-20)33(4)5/h6-14,18,22-23,25H,15-17H2,1-5H3,(H,30,34)
• InChIKey: DDBLRFFUMFIASI-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.62
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzamide?

The IUPAC name of 4-(dimethylamino)-N-[[3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzamide (CID 75131824) is 4-(dimethylamino)-N-[[3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzamide.

What is the SMILES notation for 4-(dimethylamino)-N-[[3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzamide?

The canonical SMILES for 4-(dimethylamino)-N-[[3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzamide is CC1=CC(CNC(=O)c2ccc(N(C)C)cc2)C(C(C)C)CC1Cc1nnc(-c2ccncc2)o1.

What is the InChIKey of 4-(dimethylamino)-N-[[3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzamide?

The InChIKey is DDBLRFFUMFIASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-18(2)25-15-22(16-26-31-32-28(35-26)21-10-12-29-13-11-21)19(3)14-23(25)17-30-27(34)20-6-8-24(9-7-20)33(4)5/h6-14,18,22-23,25H,15-17H2,1-5H3,(H,30,34).

What are the key properties of 4-(dimethylamino)-N-[[3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzamide?

4-(dimethylamino)-N-[[3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzamide has a molecular weight of 473.62 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-N-[[3-methyl-6-propan-2-yl-4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]benzamide is sourced from PubChem (CID 75131824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).