N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide

C15H17N5O2 — CID 59879672

About N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide

N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide (PubChem CID 59879672) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide.

Molecular Properties

• Compound Name: N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
• PubChem CID: 59879672
• Molecular Formula: C15H17N5O2
• Molecular Weight: 299.33 g/mol
• Exact Mass: 299.14
• IUPAC Name: N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide
• SMILES: CC(=O)/N=C1\C=C(N(C)C)C=C\C1=N/N=c1/ccccn1O
• InChI: InChI=1S/C15H17N5O2/c1-11(21)16-14-10-12(19(2)3)7-8-13(14)17-18-15-6-4-5-9-20(15)22/h4-10,22H,1-3H3/b16-14+,17-13+,18-15-
• InChIKey: FGUPVGCXEYHVNG-FZQDNAFCSA-N
• XLogP: 0.98
• TPSA: 82.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.33
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide?

The IUPAC name of N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide (CID 59879672) is N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide.

What is the SMILES notation for N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide?

The canonical SMILES for N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide is CC(=O)/N=C1\C=C(N(C)C)C=C\C1=N/N=c1/ccccn1O.

What is the InChIKey of N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide?

The InChIKey is FGUPVGCXEYHVNG-FZQDNAFCSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-11(21)16-14-10-12(19(2)3)7-8-13(14)17-18-15-6-4-5-9-20(15)22/h4-10,22H,1-3H3/b16-14+,17-13+,18-15-.

What are the key properties of N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide?

N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide has a molecular weight of 299.33 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6E)-3-(dimethylamino)-6-[(Z)-(1-hydroxy-2-pyridinylidene)hydrazinylidene]cyclohexa-2,4-dien-1-ylidene]acetamide is sourced from PubChem (CID 59879672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).