6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide

C19H17N3O2 — CID 52534295

IUPAC6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide
SMILESN/C(=N\OCc1ccccc1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C19H17N3O2/c20-19(22-23-14-15-7-3-1-4-8-15)16-11-12-18(21-13-16)24-17-9-5-2-6-10-17/h1-13H,14H2,(H2,20,22)
InChIKeyDDWSECJNFJLMPV-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.71
Rot. Bonds6

About 6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide

6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide (PubChem CID 52534295) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide
PubChem CID52534295
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide
SMILESN/C(=N\OCc1ccccc1)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C19H17N3O2/c20-19(22-23-14-15-7-3-1-4-8-15)16-11-12-18(21-13-16)24-17-9-5-2-6-10-17/h1-13H,14H2,(H2,20,22)
InChIKeyDDWSECJNFJLMPV-UHFFFAOYSA-N
XLogP3.71
TPSA69.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-fluorophenyl)methoxy]-6-phenoxypyridine-3-carboximidamide
CID 60591206
6-phenoxy-N'-(quinolin-8-ylmethoxy)pyridine-3-carboximidamide
CID 97201727
N'-[3-(4-fluorophenoxy)propoxy]-6-phenoxypyridine-3-carboximidamide
CID 60591183
2-[[amino-(6-phenoxy-3-pyridinyl)methylidene]amino]oxy-N-methyl-N-phenylacetamide
CID 75264488
6-(4-fluorophenoxy)-N'-[(E)-3-phenylprop-2-enoxy]pyridine-3-carboximidamide
CID 52787632
4-(hydroxymethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 74062145
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 57487781
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 57487780
4-(bromomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 23551915
N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
CID 76946444
ethane;1-(6-phenoxy-3-pyridinyl)ethanone
CID 91184231
N'-[(4-fluorophenyl)methoxy]-2-phenoxypyridine-3-carboximidamide
CID 76870993

Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide?
The IUPAC name of 6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide (CID 52534295) is 6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide.
What is the SMILES notation for 6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide?
The canonical SMILES for 6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide is N/C(=N\OCc1ccccc1)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide?
The InChIKey is DDWSECJNFJLMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-19(22-23-14-15-7-3-1-4-8-15)16-11-12-18(21-13-16)24-17-9-5-2-6-10-17/h1-13H,14H2,(H2,20,22).
What are the key properties of 6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide?
6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide has a molecular weight of 319.36 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-N'-phenylmethoxypyridine-3-carboximidamide is sourced from PubChem (CID 52534295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).