(1S)-5-[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]-2-phenylcyclohexan-1-ol

C26H34N6O — CID 145371771

About (1S)-5-[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]-2-phenylcyclohexan-1-ol

(1S)-5-[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]-2-phenylcyclohexan-1-ol (PubChem CID 145371771) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is (1S)-5-[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]-2-phenylcyclohexan-1-ol.

Molecular Properties

• Compound Name: (1S)-5-[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]-2-phenylcyclohexan-1-ol
• PubChem CID: 145371771
• Molecular Formula: C26H34N6O
• Molecular Weight: 446.60 g/mol
• Exact Mass: 446.28
• IUPAC Name: (1S)-5-[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]-2-phenylcyclohexan-1-ol
• SMILES: NNc1nc(N)cc(C(CCNC2CCC(c3ccccc3)[C@@H](O)C2)c2ccccc2)c1N
• InChI: InChI=1S/C26H34N6O/c27-24-16-22(25(28)26(31-24)32-29)20(17-7-3-1-4-8-17)13-14-30-19-11-12-21(23(33)15-19)18-9-5-2-6-10-18/h1-10,16,19-21,23,30,33H,11-15,28-29H2,(H3,27,31,32)/t19?,20?,21?,23-/m0/s1
• InChIKey: SHTQTLRCGMWOSF-FTKYIGPGSA-N
• XLogP: 3.34
• TPSA: 135.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.60
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S)-5-[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]-2-phenylcyclohexan-1-ol?

The IUPAC name of (1S)-5-[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]-2-phenylcyclohexan-1-ol (CID 145371771) is (1S)-5-[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]-2-phenylcyclohexan-1-ol.

What is the SMILES notation for (1S)-5-[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]-2-phenylcyclohexan-1-ol?

The canonical SMILES for (1S)-5-[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]-2-phenylcyclohexan-1-ol is NNc1nc(N)cc(C(CCNC2CCC(c3ccccc3)[C@@H](O)C2)c2ccccc2)c1N.

What is the InChIKey of (1S)-5-[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]-2-phenylcyclohexan-1-ol?

The InChIKey is SHTQTLRCGMWOSF-FTKYIGPGSA-N. The full InChI is InChI=1S/C26H34N6O/c27-24-16-22(25(28)26(31-24)32-29)20(17-7-3-1-4-8-17)13-14-30-19-11-12-21(23(33)15-19)18-9-5-2-6-10-18/h1-10,16,19-21,23,30,33H,11-15,28-29H2,(H3,27,31,32)/t19?,20?,21?,23-/m0/s1.

What are the key properties of (1S)-5-[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]-2-phenylcyclohexan-1-ol?

(1S)-5-[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]-2-phenylcyclohexan-1-ol has a molecular weight of 446.60 g/mol, XLogP of 3.34, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-5-[[3-(3,6-diamino-2-hydrazinyl-4-pyridinyl)-3-phenylpropyl]amino]-2-phenylcyclohexan-1-ol is sourced from PubChem (CID 145371771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).