4-hydrazinyl-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide

C29H39N5O — CID 57340727

IUPAC4-hydrazinyl-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide
SMILESNNc1ccc(C(=O)NCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C29H39N5O/c30-34-23-18-16-22(17-19-23)29(35)32-21-11-5-3-1-2-4-10-20-31-28-24-12-6-8-14-26(24)33-27-15-9-7-13-25(27)28/h6,8,12,14,16-19,34H,1-5,7,9-11,13,15,20-21,30H2,(H,31,33)(H,32,35)
InChIKeyHATKEYWIFSQUFJ-UHFFFAOYSA-N
MW473.67 g/mol
LogP5.97
Rot. Bonds13

About 4-hydrazinyl-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide

4-hydrazinyl-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide (PubChem CID 57340727) has the molecular formula C29H39N5O and a molecular weight of 473.67 g/mol. Its IUPAC name is 4-hydrazinyl-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide
PubChem CID57340727
Molecular FormulaC29H39N5O
Molecular Weight473.67 g/mol
Exact Mass473.32
IUPAC Name4-hydrazinyl-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide
SMILESNNc1ccc(C(=O)NCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1
InChIInChI=1S/C29H39N5O/c30-34-23-18-16-22(17-19-23)29(35)32-21-11-5-3-1-2-4-10-20-31-28-24-12-6-8-14-26(24)33-27-15-9-7-13-25(27)28/h6,8,12,14,16-19,34H,1-5,7,9-11,13,15,20-21,30H2,(H,31,33)(H,32,35)
InChIKeyHATKEYWIFSQUFJ-UHFFFAOYSA-N
XLogP5.97
TPSA92.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.67
LogP ≤ 55.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-hydrazinyl-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide?
The IUPAC name of 4-hydrazinyl-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide (CID 57340727) is 4-hydrazinyl-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide.
What is the SMILES notation for 4-hydrazinyl-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide?
The canonical SMILES for 4-hydrazinyl-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide is NNc1ccc(C(=O)NCCCCCCCCCNc2c3c(nc4ccccc24)CCCC3)cc1.
What is the InChIKey of 4-hydrazinyl-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide?
The InChIKey is HATKEYWIFSQUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O/c30-34-23-18-16-22(17-19-23)29(35)32-21-11-5-3-1-2-4-10-20-31-28-24-12-6-8-14-26(24)33-27-15-9-7-13-25(27)28/h6,8,12,14,16-19,34H,1-5,7,9-11,13,15,20-21,30H2,(H,31,33)(H,32,35).
What are the key properties of 4-hydrazinyl-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide?
4-hydrazinyl-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide has a molecular weight of 473.67 g/mol, XLogP of 5.97, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-[9-(1,2,3,4-tetrahydroacridin-9-ylamino)nonyl]benzamide is sourced from PubChem (CID 57340727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).