6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-[(E)-5-[(Z)-prop-1-enyl]iminopent-3-en-2-yl]oxypyridine-3-carbonitrile

C26H35N5O3 — CID 135292111

About 6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-[(E)-5-[(Z)-prop-1-enyl]iminopent-3-en-2-yl]oxypyridine-3-carbonitrile

6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-[(E)-5-[(Z)-prop-1-enyl]iminopent-3-en-2-yl]oxypyridine-3-carbonitrile (PubChem CID 135292111) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-[(E)-5-[(Z)-prop-1-enyl]iminopent-3-en-2-yl]oxypyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-[(E)-5-[(Z)-prop-1-enyl]iminopent-3-en-2-yl]oxypyridine-3-carbonitrile
• PubChem CID: 135292111
• Molecular Formula: C26H35N5O3
• Molecular Weight: 465.60 g/mol
• Exact Mass: 465.27
• IUPAC Name: 6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-[(E)-5-[(Z)-prop-1-enyl]iminopent-3-en-2-yl]oxypyridine-3-carbonitrile
• SMILES: C/C=C\N=C\C=C\C(C)Oc1cc(C#N)c(N2CCN(C(=O)CCOC)C(C)C2)nc1C1CC1
• InChI: InChI=1S/C26H35N5O3/c1-5-11-28-12-6-7-20(3)34-23-16-22(17-27)26(29-25(23)21-8-9-21)30-13-14-31(19(2)18-30)24(32)10-15-33-4/h5-7,11-12,16,19-21H,8-10,13-15,18H2,1-4H3/b7-6+,11-5-,28-12+
• InChIKey: TZNTXKQHGCTNRP-QONPZROESA-N
• XLogP: 3.83
• TPSA: 91.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.60
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-[(E)-5-[(Z)-prop-1-enyl]iminopent-3-en-2-yl]oxypyridine-3-carbonitrile?

The IUPAC name of 6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-[(E)-5-[(Z)-prop-1-enyl]iminopent-3-en-2-yl]oxypyridine-3-carbonitrile (CID 135292111) is 6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-[(E)-5-[(Z)-prop-1-enyl]iminopent-3-en-2-yl]oxypyridine-3-carbonitrile.

What is the SMILES notation for 6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-[(E)-5-[(Z)-prop-1-enyl]iminopent-3-en-2-yl]oxypyridine-3-carbonitrile?

The canonical SMILES for 6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-[(E)-5-[(Z)-prop-1-enyl]iminopent-3-en-2-yl]oxypyridine-3-carbonitrile is C/C=C\N=C\C=C\C(C)Oc1cc(C#N)c(N2CCN(C(=O)CCOC)C(C)C2)nc1C1CC1.

What is the InChIKey of 6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-[(E)-5-[(Z)-prop-1-enyl]iminopent-3-en-2-yl]oxypyridine-3-carbonitrile?

The InChIKey is TZNTXKQHGCTNRP-QONPZROESA-N. The full InChI is InChI=1S/C26H35N5O3/c1-5-11-28-12-6-7-20(3)34-23-16-22(17-27)26(29-25(23)21-8-9-21)30-13-14-31(19(2)18-30)24(32)10-15-33-4/h5-7,11-12,16,19-21H,8-10,13-15,18H2,1-4H3/b7-6+,11-5-,28-12+.

What are the key properties of 6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-[(E)-5-[(Z)-prop-1-enyl]iminopent-3-en-2-yl]oxypyridine-3-carbonitrile?

6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-[(E)-5-[(Z)-prop-1-enyl]iminopent-3-en-2-yl]oxypyridine-3-carbonitrile has a molecular weight of 465.60 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-[(E)-5-[(Z)-prop-1-enyl]iminopent-3-en-2-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 135292111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).