N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide

C22H28N4O — CID 89338534

IUPACN-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide
SMILESCc1cccc2cc3cccc(C(=O)NCCCN(C)CCCN)c3nc12
InChIInChI=1S/C22H28N4O/c1-16-7-3-8-17-15-18-9-4-10-19(21(18)25-20(16)17)22(27)24-12-6-14-26(2)13-5-11-23/h3-4,7-10,15H,5-6,11-14,23H2,1-2H3,(H,24,27)
InChIKeyOKJMKCOVNJZBDQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.10
Rot. Bonds8

About N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide

N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide (PubChem CID 89338534) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide
PubChem CID89338534
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide
SMILESCc1cccc2cc3cccc(C(=O)NCCCN(C)CCCN)c3nc12
InChIInChI=1S/C22H28N4O/c1-16-7-3-8-17-15-18-9-4-10-19(21(18)25-20(16)17)22(27)24-12-6-14-26(2)13-5-11-23/h3-4,7-10,15H,5-6,11-14,23H2,1-2H3,(H,24,27)
InChIKeyOKJMKCOVNJZBDQ-UHFFFAOYSA-N
XLogP3.10
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[3-[3-[(5,8-dimethylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5,8-dimethylacridine-4-carboxamide
CID 10603794
8-(chloromethyl)-N-[3-[3-[[8-(chloromethyl)acridine-4-carbonyl]amino]propyl-methylamino]propyl]acridine-4-carboxamide
CID 54093592
3-[3-[3-aminopropyl(methyl)amino]propylcarbamoyl]benzoic acid
CID 70661699
N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
CID 54432311
N-(4-hydroxybutyl)acridine-4-carboxamide
CID 11033729
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
N-[2-[3-[2-[[amino-(9-methylphenazin-1-yl)methylidene]amino]ethyl-methylamino]propyl-methylamino]ethyl]-9-methylphenazine-1-carboxamide
CID 163495440
N-[(E)-4,5-diamino-8-[(9-methylphenazine-1-carbonyl)amino]oct-4-enyl]-9-methylphenazine-1-carboxamide
CID 70131082
N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide
CID 101079695
N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide
CID 113222868
N-[2-(diethylamino)ethyl]-5-tributylstannylacridine-4-carboxamide
CID 59228761

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide?
The IUPAC name of N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide (CID 89338534) is N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide.
What is the SMILES notation for N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide?
The canonical SMILES for N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide is Cc1cccc2cc3cccc(C(=O)NCCCN(C)CCCN)c3nc12.
What is the InChIKey of N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide?
The InChIKey is OKJMKCOVNJZBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-16-7-3-8-17-15-18-9-4-10-19(21(18)25-20(16)17)22(27)24-12-6-14-26(2)13-5-11-23/h3-4,7-10,15H,5-6,11-14,23H2,1-2H3,(H,24,27).
What are the key properties of N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide?
N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-aminopropyl(methyl)amino]propyl]-5-methylacridine-4-carboxamide is sourced from PubChem (CID 89338534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).