4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol

C25H38N4O3 — CID 89332299

IUPAC4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol
SMILESCCCN(CCC)c1cc(N/N=C/c2cccc(C)c2)nc(OCCOCCCCO)c1
InChIInChI=1S/C25H38N4O3/c1-4-11-29(12-5-2)23-18-24(28-26-20-22-10-8-9-21(3)17-22)27-25(19-23)32-16-15-31-14-7-6-13-30/h8-10,17-20,30H,4-7,11-16H2,1-3H3,(H,27,28)/b26-20+
InChIKeyYXZJIUZRWZWCPX-LHLOQNFPSA-N
MW442.60 g/mol
LogP4.63
Rot. Bonds16

About 4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol

4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol (PubChem CID 89332299) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol.

Molecular Properties

Compound Name4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol
PubChem CID89332299
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC Name4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol
SMILESCCCN(CCC)c1cc(N/N=C/c2cccc(C)c2)nc(OCCOCCCCO)c1
InChIInChI=1S/C25H38N4O3/c1-4-11-29(12-5-2)23-18-24(28-26-20-22-10-8-9-21(3)17-22)27-25(19-23)32-16-15-31-14-7-6-13-30/h8-10,17-20,30H,4-7,11-16H2,1-3H3,(H,27,28)/b26-20+
InChIKeyYXZJIUZRWZWCPX-LHLOQNFPSA-N
XLogP4.63
TPSA79.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol?
The IUPAC name of 4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol (CID 89332299) is 4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol.
What is the SMILES notation for 4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol?
The canonical SMILES for 4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol is CCCN(CCC)c1cc(N/N=C/c2cccc(C)c2)nc(OCCOCCCCO)c1.
What is the InChIKey of 4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol?
The InChIKey is YXZJIUZRWZWCPX-LHLOQNFPSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-4-11-29(12-5-2)23-18-24(28-26-20-22-10-8-9-21(3)17-22)27-25(19-23)32-16-15-31-14-7-6-13-30/h8-10,17-20,30H,4-7,11-16H2,1-3H3,(H,27,28)/b26-20+.
What are the key properties of 4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol?
4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol has a molecular weight of 442.60 g/mol, XLogP of 4.63, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethoxy]butan-1-ol is sourced from PubChem (CID 89332299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).