N-[3-[3-(acridine-4-carbonylamino)propyl-methylamino]propyl]acridine-4-carboxamide

C35H33N5O2 — CID 10437688

IUPACN-[3-[3-(acridine-4-carbonylamino)propyl-methylamino]propyl]acridine-4-carboxamide
SMILESCN(CCCNC(=O)c1cccc2cc3ccccc3nc12)CCCNC(=O)c1cccc2cc3ccccc3nc12
InChIInChI=1S/C35H33N5O2/c1-40(20-8-18-36-34(41)28-14-6-12-26-22-24-10-2-4-16-30(24)38-32(26)28)21-9-19-37-35(42)29-15-7-13-27-23-25-11-3-5-17-31(25)39-33(27)29/h2-7,10-17,22-23H,8-9,18-21H2,1H3,(H,36,41)(H,37,42)
InChIKeyQIARUCTXDKAUQJ-UHFFFAOYSA-N
MW555.68 g/mol
LogP5.96
Rot. Bonds10

About N-[3-[3-(acridine-4-carbonylamino)propyl-methylamino]propyl]acridine-4-carboxamide

N-[3-[3-(acridine-4-carbonylamino)propyl-methylamino]propyl]acridine-4-carboxamide (PubChem CID 10437688) has the molecular formula C35H33N5O2 and a molecular weight of 555.68 g/mol. Its IUPAC name is N-[3-[3-(acridine-4-carbonylamino)propyl-methylamino]propyl]acridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(acridine-4-carbonylamino)propyl-methylamino]propyl]acridine-4-carboxamide
PubChem CID10437688
Molecular FormulaC35H33N5O2
Molecular Weight555.68 g/mol
Exact Mass555.26
IUPAC NameN-[3-[3-(acridine-4-carbonylamino)propyl-methylamino]propyl]acridine-4-carboxamide
SMILESCN(CCCNC(=O)c1cccc2cc3ccccc3nc12)CCCNC(=O)c1cccc2cc3ccccc3nc12
InChIInChI=1S/C35H33N5O2/c1-40(20-8-18-36-34(41)28-14-6-12-26-22-24-10-2-4-16-30(24)38-32(26)28)21-9-19-37-35(42)29-15-7-13-27-23-25-11-3-5-17-31(25)39-33(27)29/h2-7,10-17,22-23H,8-9,18-21H2,1H3,(H,36,41)(H,37,42)
InChIKeyQIARUCTXDKAUQJ-UHFFFAOYSA-N
XLogP5.96
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.68
LogP ≤ 55.96
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 N-[3-[3-(acridine-4-carbonylamino)propyl-methylamino]propyl]acridine-4-carboxamide?
The IUPAC name of N-[3-[3-(acridine-4-carbonylamino)propyl-methylamino]propyl]acridine-4-carboxamide (CID 10437688) is N-[3-[3-(acridine-4-carbonylamino)propyl-methylamino]propyl]acridine-4-carboxamide.
What is the SMILES notation for N-[3-[3-(acridine-4-carbonylamino)propyl-methylamino]propyl]acridine-4-carboxamide?
The canonical SMILES for N-[3-[3-(acridine-4-carbonylamino)propyl-methylamino]propyl]acridine-4-carboxamide is CN(CCCNC(=O)c1cccc2cc3ccccc3nc12)CCCNC(=O)c1cccc2cc3ccccc3nc12.
What is the InChIKey of N-[3-[3-(acridine-4-carbonylamino)propyl-methylamino]propyl]acridine-4-carboxamide?
The InChIKey is QIARUCTXDKAUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5O2/c1-40(20-8-18-36-34(41)28-14-6-12-26-22-24-10-2-4-16-30(24)38-32(26)28)21-9-19-37-35(42)29-15-7-13-27-23-25-11-3-5-17-31(25)39-33(27)29/h2-7,10-17,22-23H,8-9,18-21H2,1H3,(H,36,41)(H,37,42).
What are the key properties of N-[3-[3-(acridine-4-carbonylamino)propyl-methylamino]propyl]acridine-4-carboxamide?
N-[3-[3-(acridine-4-carbonylamino)propyl-methylamino]propyl]acridine-4-carboxamide has a molecular weight of 555.68 g/mol, XLogP of 5.96, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(acridine-4-carbonylamino)propyl-methylamino]propyl]acridine-4-carboxamide is sourced from PubChem (CID 10437688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).