4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide

C16H19N3O — CID 63882645

IUPAC4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(COc2ccc(CCC)cc2)ccn1
InChIInChI=1S/C16H19N3O/c1-2-3-12-4-6-14(7-5-12)20-11-13-8-9-19-15(10-13)16(17)18/h4-10H,2-3,11H2,1H3,(H3,17,18)
InChIKeyGGTSKFXYJCMBAB-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.90
Rot. Bonds6

About 4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide

4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide (PubChem CID 63882645) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide
PubChem CID63882645
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(COc2ccc(CCC)cc2)ccn1
InChIInChI=1S/C16H19N3O/c1-2-3-12-4-6-14(7-5-12)20-11-13-8-9-19-15(10-13)16(17)18/h4-10H,2-3,11H2,1H3,(H3,17,18)
InChIKeyGGTSKFXYJCMBAB-UHFFFAOYSA-N
XLogP2.90
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide
CID 63882445
4-[(3-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882454
4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882440
4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide
CID 65126654
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide
CID 63880691
4-[(dimethylamino)methyl]pyridine-2-carboximidamide
CID 63880470
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]pyridine-2-carboximidamide
CID 63882610
4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide
CID 103177983
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 115402332
4-(furan-2-ylmethoxymethyl)pyridine-2-carboximidamide
CID 63882428
3-[[4-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
CID 107709017

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide (CID 63882645) is 4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(COc2ccc(CCC)cc2)ccn1.
What is the InChIKey of 4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide?
The InChIKey is GGTSKFXYJCMBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-3-12-4-6-14(7-5-12)20-11-13-8-9-19-15(10-13)16(17)18/h4-10H,2-3,11H2,1H3,(H3,17,18).
What are the key properties of 4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide?
4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide has a molecular weight of 269.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 63882645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).