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

C24H26N4O3 — CID 110983380

IUPACN-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ccc(Oc2c(OC)cccc2OC)nc1)N1CCc2ccccc21
InChIInChI=1S/C24H26N4O3/c1-25-24(28-14-13-18-7-4-5-8-19(18)28)27-16-17-11-12-22(26-15-17)31-23-20(29-2)9-6-10-21(23)30-3/h4-12,15H,13-14,16H2,1-3H3,(H,25,27)
InChIKeyIDNZZUHJKBTFOM-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.03
Rot. Bonds6

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

N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide (PubChem CID 110983380) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
PubChem CID110983380
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ccc(Oc2c(OC)cccc2OC)nc1)N1CCc2ccccc21
InChIInChI=1S/C24H26N4O3/c1-25-24(28-14-13-18-7-4-5-8-19(18)28)27-16-17-11-12-22(26-15-17)31-23-20(29-2)9-6-10-21(23)30-3/h4-12,15H,13-14,16H2,1-3H3,(H,25,27)
InChIKeyIDNZZUHJKBTFOM-UHFFFAOYSA-N
XLogP4.03
TPSA68.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983367
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984294
N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide
CID 110985120
1-butyl-3-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111151440
1-(cyclopropylmethyl)-3-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111869739
1-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111255963
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984480
N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116402
1-[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62298293
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111132859
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984479
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984566

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide (CID 110983380) is N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCc1ccc(Oc2c(OC)cccc2OC)nc1)N1CCc2ccccc21.
What is the InChIKey of N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
The InChIKey is IDNZZUHJKBTFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-25-24(28-14-13-18-7-4-5-8-19(18)28)27-16-17-11-12-22(26-15-17)31-23-20(29-2)9-6-10-21(23)30-3/h4-12,15H,13-14,16H2,1-3H3,(H,25,27).
What are the key properties of N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide?
N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide has a molecular weight of 418.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110983380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).