N-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide

C32H45N7O2 — CID 10166452

IUPACN-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide
SMILESCN(C)CCCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2ccc(NC(=O)CCN3CCCC3)cc12
InChIInChI=1S/C32H45N7O2/c1-37(2)15-7-14-33-32-26-10-8-25(35-31(41)13-21-39-18-5-6-19-39)23-29(26)36-28-11-9-24(22-27(28)32)34-30(40)12-20-38-16-3-4-17-38/h8-11,22-23H,3-7,12-21H2,1-2H3,(H,33,36)(H,34,40)(H,35,41)
InChIKeyPAKROSIHWVOHIZ-UHFFFAOYSA-N
MW559.76 g/mol
LogP4.60
Rot. Bonds13

About N-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide

N-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 10166452) has the molecular formula C32H45N7O2 and a molecular weight of 559.76 g/mol. Its IUPAC name is N-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide
PubChem CID10166452
Molecular FormulaC32H45N7O2
Molecular Weight559.76 g/mol
Exact Mass559.36
IUPAC NameN-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide
SMILESCN(C)CCCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2ccc(NC(=O)CCN3CCCC3)cc12
InChIInChI=1S/C32H45N7O2/c1-37(2)15-7-14-33-32-26-10-8-25(35-31(41)13-21-39-18-5-6-19-39)23-29(26)36-28-11-9-24(22-27(28)32)34-30(40)12-20-38-16-3-4-17-38/h8-11,22-23H,3-7,12-21H2,1-2H3,(H,33,36)(H,34,40)(H,35,41)
InChIKeyPAKROSIHWVOHIZ-UHFFFAOYSA-N
XLogP4.60
TPSA92.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.76
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide (CID 10166452) is N-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide is CN(C)CCCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2ccc(NC(=O)CCN3CCCC3)cc12.
What is the InChIKey of N-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is PAKROSIHWVOHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N7O2/c1-37(2)15-7-14-33-32-26-10-8-25(35-31(41)13-21-39-18-5-6-19-39)23-29(26)36-28-11-9-24(22-27(28)32)34-30(40)12-20-38-16-3-4-17-38/h8-11,22-23H,3-7,12-21H2,1-2H3,(H,33,36)(H,34,40)(H,35,41).
What are the key properties of N-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide?
N-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 559.76 g/mol, XLogP of 4.60, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[3-(dimethylamino)propylamino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-2-yl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 10166452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).