1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine

C17H26N6O — CID 111955701

IUPAC1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ncc(C)c(OC)c1C)NCc1ccnn1C
InChIInChI=1S/C17H26N6O/c1-6-18-17(20-10-14-7-8-22-23(14)4)21-11-15-13(3)16(24-5)12(2)9-19-15/h7-9H,6,10-11H2,1-5H3,(H2,18,20,21)
InChIKeyMGIWVAVGIWVZBK-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.70
Rot. Bonds6

About 1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine

1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine (PubChem CID 111955701) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine
PubChem CID111955701
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ncc(C)c(OC)c1C)NCc1ccnn1C
InChIInChI=1S/C17H26N6O/c1-6-18-17(20-10-14-7-8-22-23(14)4)21-11-15-13(3)16(24-5)12(2)9-19-15/h7-9H,6,10-11H2,1-5H3,(H2,18,20,21)
InChIKeyMGIWVAVGIWVZBK-UHFFFAOYSA-N
XLogP1.70
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.70
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-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111707971
1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-propylguanidine
CID 111225861
1-ethyl-2,3-bis[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953417
1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111417017
1-ethyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111181574
1-ethyl-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111377825
1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191749
1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-(3-phenylpropyl)guanidine
CID 111198772
1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111955259
2-[[N-ethyl-N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365894
1-(4-ethoxybutyl)-3-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine
CID 111945685
1-ethyl-2-[(3-fluorophenyl)methyl]-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]guanidine
CID 111877573

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine (CID 111955701) is 1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine is CCN/C(=N\Cc1ncc(C)c(OC)c1C)NCc1ccnn1C.
What is the InChIKey of 1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine?
The InChIKey is MGIWVAVGIWVZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-6-18-17(20-10-14-7-8-22-23(14)4)21-11-15-13(3)16(24-5)12(2)9-19-15/h7-9H,6,10-11H2,1-5H3,(H2,18,20,21).
What are the key properties of 1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine?
1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine has a molecular weight of 330.44 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine is sourced from PubChem (CID 111955701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).