3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide

C41H57N5O2 — CID 46883408

IUPAC3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide
SMILESCC1(C)CC2CN(CCC(=O)Nc3ccc4cc5ccc(NC(=O)CCN6CC7CC(C)(C)CC(C)(C7)C6)cc5nc4c3)CC(C)(C2)C1
InChIInChI=1S/C41H57N5O2/c1-38(2)18-28-20-40(5,24-38)26-45(22-28)13-11-36(47)42-32-9-7-30-15-31-8-10-33(17-35(31)44-34(30)16-32)43-37(48)12-14-46-23-29-19-39(3,4)25-41(6,21-29)27-46/h7-10,15-17,28-29H,11-14,18-27H2,1-6H3,(H,42,47)(H,43,48)
InChIKeySCWNDIPKIKGPJD-UHFFFAOYSA-N
MW651.94 g/mol
LogP8.34
Rot. Bonds8

About 3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide

3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide (PubChem CID 46883408) has the molecular formula C41H57N5O2 and a molecular weight of 651.94 g/mol. Its IUPAC name is 3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide.

Molecular Properties

Compound Name3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide
PubChem CID46883408
Molecular FormulaC41H57N5O2
Molecular Weight651.94 g/mol
Exact Mass651.45
IUPAC Name3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide
SMILESCC1(C)CC2CN(CCC(=O)Nc3ccc4cc5ccc(NC(=O)CCN6CC7CC(C)(C)CC(C)(C7)C6)cc5nc4c3)CC(C)(C2)C1
InChIInChI=1S/C41H57N5O2/c1-38(2)18-28-20-40(5,24-38)26-45(22-28)13-11-36(47)42-32-9-7-30-15-31-8-10-33(17-35(31)44-34(30)16-32)43-37(48)12-14-46-23-29-19-39(3,4)25-41(6,21-29)27-46/h7-10,15-17,28-29H,11-14,18-27H2,1-6H3,(H,42,47)(H,43,48)
InChIKeySCWNDIPKIKGPJD-UHFFFAOYSA-N
XLogP8.34
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.94
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide with MolForge

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Related Compounds

3-(4-methylpiperidin-1-yl)-N-[6-[3-(4-methylpiperidin-1-yl)propanoylamino]acridin-3-yl]propanamide
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N-[9-methyl-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
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CID 21438217
bis(2-thiomorpholin-4-yl-N-[6-[(2-thiomorpholin-4-ylacetyl)amino]acridin-3-yl]acetamide);hydrate
CID 88824310
2-morpholin-4-yl-N-[6-[(2-morpholin-4-ylacetyl)amino]acridin-3-yl]acetamide;dihydrate;trihydrochloride
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CID 10120705
N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 3792955
N-(4-aminophenyl)-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamide
CID 82224567
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N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide
CID 62937712
4-[[3-[(R)-carboxy-[(1S,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methyl]-1H-indol-5-yl]amino]-4-oxobutanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide?
The IUPAC name of 3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide (CID 46883408) is 3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide.
What is the SMILES notation for 3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide?
The canonical SMILES for 3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide is CC1(C)CC2CN(CCC(=O)Nc3ccc4cc5ccc(NC(=O)CCN6CC7CC(C)(C)CC(C)(C7)C6)cc5nc4c3)CC(C)(C2)C1.
What is the InChIKey of 3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide?
The InChIKey is SCWNDIPKIKGPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H57N5O2/c1-38(2)18-28-20-40(5,24-38)26-45(22-28)13-11-36(47)42-32-9-7-30-15-31-8-10-33(17-35(31)44-34(30)16-32)43-37(48)12-14-46-23-29-19-39(3,4)25-41(6,21-29)27-46/h7-10,15-17,28-29H,11-14,18-27H2,1-6H3,(H,42,47)(H,43,48).
What are the key properties of 3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide?
3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide has a molecular weight of 651.94 g/mol, XLogP of 8.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)-N-[6-[3-(1,7,7-trimethyl-3-azabicyclo[3.3.1]nonan-3-yl)propanoylamino]acridin-3-yl]propanamide is sourced from PubChem (CID 46883408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).