N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide

C18H19N3O — CID 107805

IUPACN-[2-(dimethylamino)ethyl]acridine-4-carboxamide
SMILESCN(C)CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21
InChIInChI=1S/C18H19N3O/c1-21(2)11-10-19-18(22)15-8-5-7-14-12-13-6-3-4-9-16(13)20-17(14)15/h3-9,12H,10-11H2,1-2H3,(H,19,22)
InChIKeyXBGNERSKEKDZDS-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.30
Rot. Bonds4

About N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide

N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide (PubChem CID 107805) has the molecular formula C18H19N3O and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]acridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-(Dimethylamino)ethyl)acridine-4-carboxamide
PubChem CID107805
Molecular FormulaC18H19N3O
Molecular Weight293.40 g/mol
Exact Mass293.15
IUPAC NameN-[2-(dimethylamino)ethyl]acridine-4-carboxamide
SMILESCN(C)CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21
InChIInChI=1S/C18H19N3O/c1-21(2)11-10-19-18(22)15-8-5-7-14-12-13-6-3-4-9-16(13)20-17(14)15/h3-9,12H,10-11H2,1-2H3,(H,19,22)
InChIKeyXBGNERSKEKDZDS-UHFFFAOYSA-N
XLogP3.30
TPSA45.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity385

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 65752
XR 5944
CID 439035
Pavinetant
CID 23649245
Evodiamine
CID 442088
Rhetsinine
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SB 222200
CID 6604009
Olinone
CID 91668531
9-amino-N-(3-(dimethylamino)propyl)acridine-4-carboxamide
CID 150238
Isoevodiamine
CID 151289
Evodiamine, derivative of
CID 156372
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
Gsk 172981
CID 25195091

Frequently Asked Questions

What is the IUPAC name of N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide?
The IUPAC name of N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide (CID 107805) is N-[2-(dimethylamino)ethyl]acridine-4-carboxamide.
What is the SMILES notation for N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide?
The canonical SMILES for N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide is CN(C)CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21.
What is the InChIKey of N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide?
The InChIKey is XBGNERSKEKDZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21(2)11-10-19-18(22)15-8-5-7-14-12-13-6-3-4-9-16(13)20-17(14)15/h3-9,12H,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide?
N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide is sourced from PubChem (CID 107805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).