3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide

C15H26N4O2 — CID 63286081

IUPAC3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C15H26N4O2/c1-11-9-18-13(12(2)15(11)21-4)10-19(7-8-20-3)6-5-14(16)17/h9H,5-8,10H2,1-4H3,(H3,16,17)
InChIKeyISZQYFKHLPAITF-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.48
Rot. Bonds9

About 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide

3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide (PubChem CID 63286081) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide
PubChem CID63286081
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C15H26N4O2/c1-11-9-18-13(12(2)15(11)21-4)10-19(7-8-20-3)6-5-14(16)17/h9H,5-8,10H2,1-4H3,(H3,16,17)
InChIKeyISZQYFKHLPAITF-UHFFFAOYSA-N
XLogP1.48
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide?
The IUPAC name of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide (CID 63286081) is 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide.
What is the SMILES notation for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide?
The canonical SMILES for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide?
The InChIKey is ISZQYFKHLPAITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11-9-18-13(12(2)15(11)21-4)10-19(7-8-20-3)6-5-14(16)17/h9H,5-8,10H2,1-4H3,(H3,16,17).
What are the key properties of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide?
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide has a molecular weight of 294.40 g/mol, XLogP of 1.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methoxyethyl)amino]propanimidamide is sourced from PubChem (CID 63286081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).