N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide

C21H28N6 — CID 110985120

IUPACN'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ccc(N2CCN(C)CC2)nc1)N1CCc2ccccc21
InChIInChI=1S/C21H28N6/c1-22-21(27-10-9-18-5-3-4-6-19(18)27)24-16-17-7-8-20(23-15-17)26-13-11-25(2)12-14-26/h3-8,15H,9-14,16H2,1-2H3,(H,22,24)
InChIKeyKSQCAMQCTQHUQM-UHFFFAOYSA-N
MW364.50 g/mol
LogP1.97
Rot. Bonds3

About N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide

N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide (PubChem CID 110985120) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide
PubChem CID110985120
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC NameN'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ccc(N2CCN(C)CC2)nc1)N1CCc2ccccc21
InChIInChI=1S/C21H28N6/c1-22-21(27-10-9-18-5-3-4-6-19(18)27)24-16-17-7-8-20(23-15-17)26-13-11-25(2)12-14-26/h3-8,15H,9-14,16H2,1-2H3,(H,22,24)
InChIKeyKSQCAMQCTQHUQM-UHFFFAOYSA-N
XLogP1.97
TPSA47.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 51.97
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'}

Analyze N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide 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

N'-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983367
1-benzyl-2-methyl-3-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 110954761
N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110983380
4-(2-chlorophenyl)-N'-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111177690
4-(2-hydroxyphenyl)-N'-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111185720
N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983456
6,7-dimethoxy-N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269673
N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442062
N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116402
N-ethyl-N'-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 119116530
N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 111495398
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984294

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide (CID 110985120) is N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCc1ccc(N2CCN(C)CC2)nc1)N1CCc2ccccc21.
What is the InChIKey of N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide?
The InChIKey is KSQCAMQCTQHUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-22-21(27-10-9-18-5-3-4-6-19(18)27)24-16-17-7-8-20(23-15-17)26-13-11-25(2)12-14-26/h3-8,15H,9-14,16H2,1-2H3,(H,22,24).
What are the key properties of N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide?
N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide has a molecular weight of 364.50 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110985120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).