4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide

C16H19N3O — CID 63882440

IUPAC4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(COc2cccc(C(C)C)c2)ccn1
InChIInChI=1S/C16H19N3O/c1-11(2)13-4-3-5-14(9-13)20-10-12-6-7-19-15(8-12)16(17)18/h3-9,11H,10H2,1-2H3,(H3,17,18)
InChIKeyJVURAVXHDNTENL-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.07
Rot. Bonds5

About 4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide

4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide (PubChem CID 63882440) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
PubChem CID63882440
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(COc2cccc(C(C)C)c2)ccn1
InChIInChI=1S/C16H19N3O/c1-11(2)13-4-3-5-14(9-13)20-10-12-6-7-19-15(8-12)16(17)18/h3-9,11H,10H2,1-2H3,(H3,17,18)
InChIKeyJVURAVXHDNTENL-UHFFFAOYSA-N
XLogP3.07
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.07
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-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide
CID 62926157
4-[(3-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882454
4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 62464940
4-[(4-propylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882645
[4-[(3-propan-2-ylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465371
4-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 115402332
4-[(4-methoxyphenyl)methoxymethyl]pyridine-2-carboximidamide
CID 63882445
4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide
CID 65126654
4-[[2-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboximidamide
CID 63880691
3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide
CID 62683543
4-(hydroxymethyl)pyridine-2-carboximidamide
CID 63882803
3-(3-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80514169

Frequently Asked Questions

What is the IUPAC name of 4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide?
The IUPAC name of 4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide (CID 63882440) is 4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide?
The canonical SMILES for 4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1cc(COc2cccc(C(C)C)c2)ccn1.
What is the InChIKey of 4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide?
The InChIKey is JVURAVXHDNTENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(2)13-4-3-5-14(9-13)20-10-12-6-7-19-15(8-12)16(17)18/h3-9,11H,10H2,1-2H3,(H3,17,18).
What are the key properties of 4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide?
4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide has a molecular weight of 269.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 63882440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).