1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine

C22H31N5O2 — CID 111374815

IUPAC1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1CN1CCOCC1)NCc1cccc(OC)n1
InChIInChI=1S/C22H31N5O2/c1-3-23-22(25-16-20-9-6-10-21(26-20)28-2)24-15-18-7-4-5-8-19(18)17-27-11-13-29-14-12-27/h4-10H,3,11-17H2,1-2H3,(H2,23,24,25)
InChIKeyLNKOUTXBQVZKEL-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.18
Rot. Bonds8

About 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine

1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (PubChem CID 111374815) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
PubChem CID111374815
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1ccccc1CN1CCOCC1)NCc1cccc(OC)n1
InChIInChI=1S/C22H31N5O2/c1-3-23-22(25-16-20-9-6-10-21(26-20)28-2)24-15-18-7-4-5-8-19(18)17-27-11-13-29-14-12-27/h4-10H,3,11-17H2,1-2H3,(H2,23,24,25)
InChIKeyLNKOUTXBQVZKEL-UHFFFAOYSA-N
XLogP2.18
TPSA71.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.18
H-Bond Donors ≤ 52
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

1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111851038
1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359938
2-[(2,3-dimethoxyphenyl)methyl]-1-ethyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374447
1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374725
1-ethyl-3-(3-methoxypropyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 110975941
1-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111375176
1-butyl-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111151367
1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111847837
1-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111015751
1-ethyl-3-(1H-indol-2-ylmethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111375049
1-tert-butyl-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 110966606
1-ethyl-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111375116

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine (CID 111374815) is 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is CCN/C(=N\Cc1ccccc1CN1CCOCC1)NCc1cccc(OC)n1.
What is the InChIKey of 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
The InChIKey is LNKOUTXBQVZKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-3-23-22(25-16-20-9-6-10-21(26-20)28-2)24-15-18-7-4-5-8-19(18)17-27-11-13-29-14-12-27/h4-10H,3,11-17H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine?
1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine has a molecular weight of 397.52 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 111374815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).