(4Z,5E)-N-(1-cyclopentylethenyl)-5-ethylidene-4-[(3E)-2-methylidene-3-[(Z)-1-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]iminopent-4-enylidene]pyridin-2-amine

C31H45N5 — CID 142583904

About (4Z,5E)-N-(1-cyclopentylethenyl)-5-ethylidene-4-[(3E)-2-methylidene-3-[(Z)-1-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]iminopent-4-enylidene]pyridin-2-amine

(4Z,5E)-N-(1-cyclopentylethenyl)-5-ethylidene-4-[(3E)-2-methylidene-3-[(Z)-1-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]iminopent-4-enylidene]pyridin-2-amine (PubChem CID 142583904) has the molecular formula C31H45N5 and a molecular weight of 487.74 g/mol. Its IUPAC name is (4Z,5E)-N-(1-cyclopentylethenyl)-5-ethylidene-4-[(3E)-2-methylidene-3-[(Z)-1-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]iminopent-4-enylidene]pyridin-2-amine.

Molecular Properties

• Compound Name: (4Z,5E)-N-(1-cyclopentylethenyl)-5-ethylidene-4-[(3E)-2-methylidene-3-[(Z)-1-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]iminopent-4-enylidene]pyridin-2-amine
• PubChem CID: 142583904
• Molecular Formula: C31H45N5
• Molecular Weight: 487.74 g/mol
• Exact Mass: 487.37
• IUPAC Name: (4Z,5E)-N-(1-cyclopentylethenyl)-5-ethylidene-4-[(3E)-2-methylidene-3-[(Z)-1-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]iminopent-4-enylidene]pyridin-2-amine
• SMILES: C=C/C(=N\C(=C/C)NC1CCN(C(C)C)CC1)C(=C)/C=c1/cc(NC(=C)C2CCCC2)nc/c1=C/C
• InChI: InChI=1S/C31H45N5/c1-8-25-21-32-31(33-24(7)26-13-11-12-14-26)20-27(25)19-23(6)29(9-2)35-30(10-3)34-28-15-17-36(18-16-28)22(4)5/h8-10,19-22,26,28,33-34H,2,6-7,11-18H2,1,3-5H3/b25-8-,27-19-,30-10-,35-29+
• InChIKey: LKATZYPVEIHWPI-AGFGLECYSA-N
• XLogP: 5.29
• TPSA: 52.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.74
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-N-(1-cyclopentylethenyl)-5-ethylidene-4-[(3E)-2-methylidene-3-[(Z)-1-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]iminopent-4-enylidene]pyridin-2-amine?

The IUPAC name of (4Z,5E)-N-(1-cyclopentylethenyl)-5-ethylidene-4-[(3E)-2-methylidene-3-[(Z)-1-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]iminopent-4-enylidene]pyridin-2-amine (CID 142583904) is (4Z,5E)-N-(1-cyclopentylethenyl)-5-ethylidene-4-[(3E)-2-methylidene-3-[(Z)-1-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]iminopent-4-enylidene]pyridin-2-amine.

What is the SMILES notation for (4Z,5E)-N-(1-cyclopentylethenyl)-5-ethylidene-4-[(3E)-2-methylidene-3-[(Z)-1-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]iminopent-4-enylidene]pyridin-2-amine?

The canonical SMILES for (4Z,5E)-N-(1-cyclopentylethenyl)-5-ethylidene-4-[(3E)-2-methylidene-3-[(Z)-1-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]iminopent-4-enylidene]pyridin-2-amine is C=C/C(=N\C(=C/C)NC1CCN(C(C)C)CC1)C(=C)/C=c1/cc(NC(=C)C2CCCC2)nc/c1=C/C.

What is the InChIKey of (4Z,5E)-N-(1-cyclopentylethenyl)-5-ethylidene-4-[(3E)-2-methylidene-3-[(Z)-1-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]iminopent-4-enylidene]pyridin-2-amine?

The InChIKey is LKATZYPVEIHWPI-AGFGLECYSA-N. The full InChI is InChI=1S/C31H45N5/c1-8-25-21-32-31(33-24(7)26-13-11-12-14-26)20-27(25)19-23(6)29(9-2)35-30(10-3)34-28-15-17-36(18-16-28)22(4)5/h8-10,19-22,26,28,33-34H,2,6-7,11-18H2,1,3-5H3/b25-8-,27-19-,30-10-,35-29+.

What are the key properties of (4Z,5E)-N-(1-cyclopentylethenyl)-5-ethylidene-4-[(3E)-2-methylidene-3-[(Z)-1-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]iminopent-4-enylidene]pyridin-2-amine?

(4Z,5E)-N-(1-cyclopentylethenyl)-5-ethylidene-4-[(3E)-2-methylidene-3-[(Z)-1-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]iminopent-4-enylidene]pyridin-2-amine has a molecular weight of 487.74 g/mol, XLogP of 5.29, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z,5E)-N-(1-cyclopentylethenyl)-5-ethylidene-4-[(3E)-2-methylidene-3-[(Z)-1-[(1-propan-2-ylpiperidin-4-yl)amino]prop-1-enyl]iminopent-4-enylidene]pyridin-2-amine is sourced from PubChem (CID 142583904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).