4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide

C15H17N3O2 — CID 63882445

IUPAC4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(COCc2ccc(OC)cc2)ccn1
InChIInChI=1S/C15H17N3O2/c1-19-13-4-2-11(3-5-13)9-20-10-12-6-7-18-14(8-12)15(16)17/h2-8H,9-10H2,1H3,(H3,16,17)
InChIKeyFCIRWPAIBBOLKA-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.09
Rot. Bonds6

About 4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide

4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide (PubChem CID 63882445) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide
PubChem CID63882445
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(COCc2ccc(OC)cc2)ccn1
InChIInChI=1S/C15H17N3O2/c1-19-13-4-2-11(3-5-13)9-20-10-12-6-7-18-14(8-12)15(16)17/h2-8H,9-10H2,1H3,(H3,16,17)
InChIKeyFCIRWPAIBBOLKA-UHFFFAOYSA-N
XLogP2.09
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882645
4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide
CID 103177983
4-(furan-2-ylmethoxymethyl)pyridine-2-carboximidamide
CID 63882428
4-(thiophen-2-ylmethoxymethyl)pyridine-2-carboximidamide
CID 63880687
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 75537360
4-[(3-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882454
4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide
CID 65126654
4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide
CID 114483735
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882440
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
CID 63882610

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide (CID 63882445) is 4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(COCc2ccc(OC)cc2)ccn1.
What is the InChIKey of 4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide?
The InChIKey is FCIRWPAIBBOLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-19-13-4-2-11(3-5-13)9-20-10-12-6-7-18-14(8-12)15(16)17/h2-8H,9-10H2,1H3,(H3,16,17).
What are the key properties of 4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide?
4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide has a molecular weight of 271.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide is sourced from PubChem (CID 63882445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).