7-[(E,4Z)-4-(1-aminoethenylimino)but-2-en-2-yl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine

C21H26N4O — CID 164526075

About 7-[(E,4Z)-4-(1-aminoethenylimino)but-2-en-2-yl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine

7-[(E,4Z)-4-(1-aminoethenylimino)but-2-en-2-yl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine (PubChem CID 164526075) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 7-[(E,4Z)-4-(1-aminoethenylimino)but-2-en-2-yl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine.

Molecular Properties

• Compound Name: 7-[(E,4Z)-4-(1-aminoethenylimino)but-2-en-2-yl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine
• PubChem CID: 164526075
• Molecular Formula: C21H26N4O
• Molecular Weight: 350.47 g/mol
• Exact Mass: 350.21
• IUPAC Name: 7-[(E,4Z)-4-(1-aminoethenylimino)but-2-en-2-yl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine
• SMILES: C=C/C=C(\C=C/C)CNc1ncc(/C(C)=C/C=N\C(=C)N)c2c1CCO2
• InChI: InChI=1S/C21H26N4O/c1-5-7-17(8-6-2)13-24-21-18-10-12-26-20(18)19(14-25-21)15(3)9-11-23-16(4)22/h5-9,11,14H,1,4,10,12-13,22H2,2-3H3,(H,24,25)/b8-6-,15-9+,17-7+,23-11-
• InChIKey: NQFLBRHBGQZVPU-NSMWDFGDSA-N
• XLogP: 4.02
• TPSA: 72.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.47
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(E,4Z)-4-(1-aminoethenylimino)but-2-en-2-yl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine?

The IUPAC name of 7-[(E,4Z)-4-(1-aminoethenylimino)but-2-en-2-yl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine (CID 164526075) is 7-[(E,4Z)-4-(1-aminoethenylimino)but-2-en-2-yl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine.

What is the SMILES notation for 7-[(E,4Z)-4-(1-aminoethenylimino)but-2-en-2-yl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine?

The canonical SMILES for 7-[(E,4Z)-4-(1-aminoethenylimino)but-2-en-2-yl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine is C=C/C=C(\C=C/C)CNc1ncc(/C(C)=C/C=N\C(=C)N)c2c1CCO2.

What is the InChIKey of 7-[(E,4Z)-4-(1-aminoethenylimino)but-2-en-2-yl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine?

The InChIKey is NQFLBRHBGQZVPU-NSMWDFGDSA-N. The full InChI is InChI=1S/C21H26N4O/c1-5-7-17(8-6-2)13-24-21-18-10-12-26-20(18)19(14-25-21)15(3)9-11-23-16(4)22/h5-9,11,14H,1,4,10,12-13,22H2,2-3H3,(H,24,25)/b8-6-,15-9+,17-7+,23-11-.

What are the key properties of 7-[(E,4Z)-4-(1-aminoethenylimino)but-2-en-2-yl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine?

7-[(E,4Z)-4-(1-aminoethenylimino)but-2-en-2-yl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine has a molecular weight of 350.47 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(E,4Z)-4-(1-aminoethenylimino)but-2-en-2-yl]-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-2,3-dihydrofuro[3,2-c]pyridin-4-amine is sourced from PubChem (CID 164526075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).