5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide

C39H41N5O2 — CID 10793840

IUPAC5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
SMILESCCc1cccc2cc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cccc(CC)c6nc45)c3nc12
InChIInChI=1S/C39H41N5O2/c1-4-26-12-6-14-28-24-30-16-8-18-32(36(30)42-34(26)28)38(45)40-20-10-22-44(3)23-11-21-41-39(46)33-19-9-17-31-25-29-15-7-13-27(5-2)35(29)43-37(31)33/h6-9,12-19,24-25H,4-5,10-11,20-23H2,1-3H3,(H,40,45)(H,41,46)
InChIKeyJSLMDSOCELOFSR-UHFFFAOYSA-N
MW611.79 g/mol
LogP7.09
Rot. Bonds12

About 5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide

5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide (PubChem CID 10793840) has the molecular formula C39H41N5O2 and a molecular weight of 611.79 g/mol. Its IUPAC name is 5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
PubChem CID10793840
Molecular FormulaC39H41N5O2
Molecular Weight611.79 g/mol
Exact Mass611.33
IUPAC Name5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
SMILESCCc1cccc2cc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cccc(CC)c6nc45)c3nc12
InChIInChI=1S/C39H41N5O2/c1-4-26-12-6-14-28-24-30-16-8-18-32(36(30)42-34(26)28)38(45)40-20-10-22-44(3)23-11-21-41-39(46)33-19-9-17-31-25-29-15-7-13-27(5-2)35(29)43-37(31)33/h6-9,12-19,24-25H,4-5,10-11,20-23H2,1-3H3,(H,40,45)(H,41,46)
InChIKeyJSLMDSOCELOFSR-UHFFFAOYSA-N
XLogP7.09
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.79
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The IUPAC name of 5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide (CID 10793840) is 5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide is CCc1cccc2cc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cccc(CC)c6nc45)c3nc12.
What is the InChIKey of 5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The InChIKey is JSLMDSOCELOFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41N5O2/c1-4-26-12-6-14-28-24-30-16-8-18-32(36(30)42-34(26)28)38(45)40-20-10-22-44(3)23-11-21-41-39(46)33-19-9-17-31-25-29-15-7-13-27(5-2)35(29)43-37(31)33/h6-9,12-19,24-25H,4-5,10-11,20-23H2,1-3H3,(H,40,45)(H,41,46).
What are the key properties of 5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide has a molecular weight of 611.79 g/mol, XLogP of 7.09, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-[3-[(5-ethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide is sourced from PubChem (CID 10793840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).