N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine

C26H32N4O — CID 38030746

About N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine

N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine (PubChem CID 38030746) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine
• PubChem CID: 38030746
• Molecular Formula: C26H32N4O
• Molecular Weight: 416.57 g/mol
• Exact Mass: 416.26
• IUPAC Name: N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine
• SMILES: CC1=C[C@@H](CNc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1
• InChI: InChI=1S/C26H32N4O/c1-17(2)23-14-21(19(4)13-22(23)16-28-24-7-5-6-12-27-24)15-25-29-30-26(31-25)20-10-8-18(3)9-11-20/h5-13,17,21-23H,14-16H2,1-4H3,(H,27,28)/t21-,22-,23-/m0/s1
• InChIKey: WVPOKSPRJOBKGE-VABKMULXSA-N
• XLogP: 5.95
• TPSA: 63.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.57
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine?

The IUPAC name of N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine (CID 38030746) is N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine.

What is the SMILES notation for N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine?

The canonical SMILES for N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine is CC1=C[C@@H](CNc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1.

What is the InChIKey of N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine?

The InChIKey is WVPOKSPRJOBKGE-VABKMULXSA-N. The full InChI is InChI=1S/C26H32N4O/c1-17(2)23-14-21(19(4)13-22(23)16-28-24-7-5-6-12-27-24)15-25-29-30-26(31-25)20-10-8-18(3)9-11-20/h5-13,17,21-23H,14-16H2,1-4H3,(H,27,28)/t21-,22-,23-/m0/s1.

What are the key properties of N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine?

N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine has a molecular weight of 416.57 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1S,4S,6S)-3-methyl-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 38030746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).