[[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium

C19H23N6+ — CID 3492646

IUPAC[[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium
SMILESCN(C)CCn1c2ccccc2c2cnc(NC=[N+](C)C)c(C#N)c21
InChIInChI=1S/C19H22N6/c1-23(2)9-10-25-17-8-6-5-7-14(17)16-12-21-19(22-13-24(3)4)15(11-20)18(16)25/h5-8,12-13H,9-10H2,1-4H3/p+1
InChIKeyYITHKOBKHNYAFH-UHFFFAOYSA-O
MW335.44 g/mol
LogP2.34
Rot. Bonds5

About [[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium

[[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium (PubChem CID 3492646) has the molecular formula C19H23N6+ and a molecular weight of 335.44 g/mol. Its IUPAC name is [[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium.

Molecular Properties

Compound Name[[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium
PubChem CID3492646
Molecular FormulaC19H23N6+
Molecular Weight335.44 g/mol
Exact Mass335.20
IUPAC Name[[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium
SMILESCN(C)CCn1c2ccccc2c2cnc(NC=[N+](C)C)c(C#N)c21
InChIInChI=1S/C19H22N6/c1-23(2)9-10-25-17-8-6-5-7-14(17)16-12-21-19(22-13-24(3)4)15(11-20)18(16)25/h5-8,12-13H,9-10H2,1-4H3/p+1
InChIKeyYITHKOBKHNYAFH-UHFFFAOYSA-O
XLogP2.34
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium 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

2-indolo[3,2-c]isoquinolin-11-yl-N,N-dimethylethanamine
CID 170972492
N,N-dimethyl-2-pyrimido[4,5-b]indol-9-ylethanamine;hydrochloride
CID 117068779
10-[2-(dimethylamino)ethyl]acridin-9-one
CID 3014731
3-(1,3-dimethylpyrido[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine
CID 1403670
4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile
CID 63693524
10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one
CID 3025757
N-[(9-butylpyrido[3,4-b]indol-3-yl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 56640129
N',N'-dimethyl-N-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-1-yl]methyl]propane-1,3-diamine
CID 54753268
N',N'-dimethyl-N-[[9-(2-phenylethyl)pyrido[3,4-b]indol-3-yl]methyl]propane-1,3-diamine
CID 56640269
N-benzyl-2-cyano-3-[1-[2-(dimethylamino)ethyl]-2-methylindol-3-yl]prop-2-enamide
CID 68895529
2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile
CID 113444999
9-butyl-N-methylpyrido[3,4-b]indol-1-amine
CID 151947082

Frequently Asked Questions

What is the IUPAC name of [[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium?
The IUPAC name of [[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium (CID 3492646) is [[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium.
What is the SMILES notation for [[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium?
The canonical SMILES for [[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium is CN(C)CCn1c2ccccc2c2cnc(NC=[N+](C)C)c(C#N)c21.
What is the InChIKey of [[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium?
The InChIKey is YITHKOBKHNYAFH-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N6/c1-23(2)9-10-25-17-8-6-5-7-14(17)16-12-21-19(22-13-24(3)4)15(11-20)18(16)25/h5-8,12-13H,9-10H2,1-4H3/p+1.
What are the key properties of [[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium?
[[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium has a molecular weight of 335.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-cyano-5-[2-(dimethylamino)ethyl]pyrido[4,3-b]indol-3-yl]amino]methylidene-dimethylazanium is sourced from PubChem (CID 3492646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).