N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide

C23H31N5O — CID 110946386

IUPACN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILESC/N=C(\NCc1ccc(N2CC(C)OC(C)C2)nc1)N1CCc2ccccc2C1
InChIInChI=1S/C23H31N5O/c1-17-14-28(15-18(2)29-17)22-9-8-19(12-25-22)13-26-23(24-3)27-11-10-20-6-4-5-7-21(20)16-27/h4-9,12,17-18H,10-11,13-16H2,1-3H3,(H,24,26)
InChIKeyFXQPMHGRNBJWAH-UHFFFAOYSA-N
MW393.54 g/mol
LogP2.83
Rot. Bonds3

About N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide (PubChem CID 110946386) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide.

Molecular Properties

Compound NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
PubChem CID110946386
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
SMILESC/N=C(\NCc1ccc(N2CC(C)OC(C)C2)nc1)N1CCc2ccccc2C1
InChIInChI=1S/C23H31N5O/c1-17-14-28(15-18(2)29-17)22-9-8-19(12-25-22)13-26-23(24-3)27-11-10-20-6-4-5-7-21(20)16-27/h4-9,12,17-18H,10-11,13-16H2,1-3H3,(H,24,26)
InChIKeyFXQPMHGRNBJWAH-UHFFFAOYSA-N
XLogP2.83
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 52.83
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-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946385
N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110946387
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153167
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111143891
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 110946656
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methyl-3-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111855737
N',4-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-1-carboximidamide
CID 111209772
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111004561
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111216671
6,7-dimethoxy-N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269673
1-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-N-methylmethanamine
CID 104959494
N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide
CID 110985120

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The IUPAC name of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide (CID 110946386) is N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide.
What is the SMILES notation for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The canonical SMILES for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide is C/N=C(\NCc1ccc(N2CC(C)OC(C)C2)nc1)N1CCc2ccccc2C1.
What is the InChIKey of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
The InChIKey is FXQPMHGRNBJWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-17-14-28(15-18(2)29-17)22-9-8-19(12-25-22)13-26-23(24-3)27-11-10-20-6-4-5-7-21(20)16-27/h4-9,12,17-18H,10-11,13-16H2,1-3H3,(H,24,26).
What are the key properties of N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide?
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide has a molecular weight of 393.54 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-N'-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide is sourced from PubChem (CID 110946386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).