2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide

C33H45N5O2 — CID 21438213

IUPAC2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(C(C)(C)C(=O)Nc2ccc3cc4ccc(NC(=O)C(C)(C)N5CCC(C)CC5)cc4nc3c2)CC1
InChIInChI=1S/C33H45N5O2/c1-22-11-15-37(16-12-22)32(3,4)30(39)34-26-9-7-24-19-25-8-10-27(21-29(25)36-28(24)20-26)35-31(40)33(5,6)38-17-13-23(2)14-18-38/h7-10,19-23H,11-18H2,1-6H3,(H,34,39)(H,35,40)
InChIKeyLGSOYFQQNQDRMY-UHFFFAOYSA-N
MW543.76 g/mol
LogP6.29
Rot. Bonds6

About 2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide

2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide (PubChem CID 21438213) has the molecular formula C33H45N5O2 and a molecular weight of 543.76 g/mol. Its IUPAC name is 2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide
PubChem CID21438213
Molecular FormulaC33H45N5O2
Molecular Weight543.76 g/mol
Exact Mass543.36
IUPAC Name2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(C(C)(C)C(=O)Nc2ccc3cc4ccc(NC(=O)C(C)(C)N5CCC(C)CC5)cc4nc3c2)CC1
InChIInChI=1S/C33H45N5O2/c1-22-11-15-37(16-12-22)32(3,4)30(39)34-26-9-7-24-19-25-8-10-27(21-29(25)36-28(24)20-26)35-31(40)33(5,6)38-17-13-23(2)14-18-38/h7-10,19-23H,11-18H2,1-6H3,(H,34,39)(H,35,40)
InChIKeyLGSOYFQQNQDRMY-UHFFFAOYSA-N
XLogP6.29
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.76
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylpiperidin-1-yl)-N-[6-[3-(4-methylpiperidin-1-yl)propanoylamino]acridin-3-yl]propanamide
CID 24963056
N-(6-aminoacridin-3-yl)-2,2-dimethylpropanamide;ethane
CID 164529364
2-(4-hydroxypiperidin-1-yl)-N-[6-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]acridin-3-yl]acetamide;hydrate
CID 21438217
N-(2,3-dimethylquinoxalin-6-yl)-4-methylpiperidine-1-carbothioamide
CID 797648
N-(4-tert-butylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959202
N-(4-bromophenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959216
2-(azepan-1-yl)-N-[6-[2-(azepan-1-yl)butanoylamino]acridin-3-yl]butanamide
CID 21438211
4-methyl-N-quinolin-3-ylpiperidine-1-carboxamide
CID 115582764
2-methyl-N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylpropanamide
CID 131905130
bis(2-thiomorpholin-4-yl-N-[6-[(2-thiomorpholin-4-ylacetyl)amino]acridin-3-yl]acetamide);hydrate
CID 88824310
N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-4-methylpiperidine-1-carboxamide
CID 2924978
1-acridin-3-yl-3-cyclopropylthiourea
CID 126196525

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of 2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide (CID 21438213) is 2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide is CC1CCN(C(C)(C)C(=O)Nc2ccc3cc4ccc(NC(=O)C(C)(C)N5CCC(C)CC5)cc4nc3c2)CC1.
What is the InChIKey of 2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is LGSOYFQQNQDRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N5O2/c1-22-11-15-37(16-12-22)32(3,4)30(39)34-26-9-7-24-19-25-8-10-27(21-29(25)36-28(24)20-26)35-31(40)33(5,6)38-17-13-23(2)14-18-38/h7-10,19-23H,11-18H2,1-6H3,(H,34,39)(H,35,40).
What are the key properties of 2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide?
2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 543.76 g/mol, XLogP of 6.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-[[2-methyl-2-(4-methylpiperidin-1-yl)propanoyl]amino]acridin-3-yl]-2-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 21438213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).