3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide

C25H36N6O3 — CID 89163631

IUPAC3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
SMILESCCCN(CCC)c1cc(/C=N/Nc2cccc(C(N)=O)c2)nc(OCCN2CCOCC2)c1
InChIInChI=1S/C25H36N6O3/c1-3-8-31(9-4-2)23-17-22(19-27-29-21-7-5-6-20(16-21)25(26)32)28-24(18-23)34-15-12-30-10-13-33-14-11-30/h5-7,16-19,29H,3-4,8-15H2,1-2H3,(H2,26,32)/b27-19+
InChIKeyMPJXAMXZJDRIAX-ZXVVBBHZSA-N
MW468.60 g/mol
LogP2.96
Rot. Bonds13

About 3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide

3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide (PubChem CID 89163631) has the molecular formula C25H36N6O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is 3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide.

Molecular Properties

Compound Name3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
PubChem CID89163631
Molecular FormulaC25H36N6O3
Molecular Weight468.60 g/mol
Exact Mass468.28
IUPAC Name3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide
SMILESCCCN(CCC)c1cc(/C=N/Nc2cccc(C(N)=O)c2)nc(OCCN2CCOCC2)c1
InChIInChI=1S/C25H36N6O3/c1-3-8-31(9-4-2)23-17-22(19-27-29-21-7-5-6-20(16-21)25(26)32)28-24(18-23)34-15-12-30-10-13-33-14-11-30/h5-7,16-19,29H,3-4,8-15H2,1-2H3,(H2,26,32)/b27-19+
InChIKeyMPJXAMXZJDRIAX-ZXVVBBHZSA-N
XLogP2.96
TPSA105.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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 3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide?
The IUPAC name of 3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide (CID 89163631) is 3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide.
What is the SMILES notation for 3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide?
The canonical SMILES for 3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide is CCCN(CCC)c1cc(/C=N/Nc2cccc(C(N)=O)c2)nc(OCCN2CCOCC2)c1.
What is the InChIKey of 3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide?
The InChIKey is MPJXAMXZJDRIAX-ZXVVBBHZSA-N. The full InChI is InChI=1S/C25H36N6O3/c1-3-8-31(9-4-2)23-17-22(19-27-29-21-7-5-6-20(16-21)25(26)32)28-24(18-23)34-15-12-30-10-13-33-14-11-30/h5-7,16-19,29H,3-4,8-15H2,1-2H3,(H2,26,32)/b27-19+.
What are the key properties of 3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide?
3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide has a molecular weight of 468.60 g/mol, XLogP of 2.96, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2E)-2-[[4-(dipropylamino)-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]methylidene]hydrazinyl]benzamide is sourced from PubChem (CID 89163631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).