N-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide

C14H20N5O2+ — CID 57110416

IUPACN-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide
SMILESCN(C)CCNC(=O)c1ccc(C2=NC[N+](=O)CN2)cc1
InChIInChI=1S/C14H19N5O2/c1-18(2)8-7-15-14(20)12-5-3-11(4-6-12)13-16-9-19(21)10-17-13/h3-6H,7-10H2,1-2H3,(H-,15,16,17,20)/p+1
InChIKeyFCUQQQCKYSPQGN-UHFFFAOYSA-O
MW290.35 g/mol
LogP0.02
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide

N-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide (PubChem CID 57110416) has the molecular formula C14H20N5O2+ and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide
PubChem CID57110416
Molecular FormulaC14H20N5O2+
Molecular Weight290.35 g/mol
Exact Mass290.16
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide
SMILESCN(C)CCNC(=O)c1ccc(C2=NC[N+](=O)CN2)cc1
InChIInChI=1S/C14H19N5O2/c1-18(2)8-7-15-14(20)12-5-3-11(4-6-12)13-16-9-19(21)10-17-13/h3-6H,7-10H2,1-2H3,(H-,15,16,17,20)/p+1
InChIKeyFCUQQQCKYSPQGN-UHFFFAOYSA-O
XLogP0.02
TPSA76.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
CID 24701967
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
N-[2-(dimethylamino)ethyl]-4-(6-ethyl-2,3-dihydro-1H-indol-5-yl)benzamide
CID 70866499
N-[2-(dimethylamino)ethyl]-4-[10,15,20-tris[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzamide
CID 135526929
N-(2-hydroxyethyl)-4-(3-oxido-2,4-dihydro-1H-1,3,5-triazin-6-yl)benzamide
CID 88703727
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
CID 67598283
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[7-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]heptyl]benzamide
CID 138649534
4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]-N-[6-[[4-[5-[2-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-1H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoyl]amino]hexyl]benzamide
CID 138650082
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide (CID 57110416) is N-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide is CN(C)CCNC(=O)c1ccc(C2=NC[N+](=O)CN2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide?
The InChIKey is FCUQQQCKYSPQGN-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19N5O2/c1-18(2)8-7-15-14(20)12-5-3-11(4-6-12)13-16-9-19(21)10-17-13/h3-6H,7-10H2,1-2H3,(H-,15,16,17,20)/p+1.
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide?
N-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide has a molecular weight of 290.35 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(3-oxo-2,4-dihydro-1H-1,3,5-triazin-3-ium-6-yl)benzamide is sourced from PubChem (CID 57110416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).