N-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide

C14H15N3O3 — CID 59103977

IUPACN-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide
SMILESCOc1ccc(COc2ccc(/N=C/NO)cn2)cc1
InChIInChI=1S/C14H15N3O3/c1-19-13-5-2-11(3-6-13)9-20-14-7-4-12(8-15-14)16-10-17-18/h2-8,10,18H,9H2,1H3,(H,16,17)
InChIKeySFDBRDZFEHWSPN-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.31
Rot. Bonds6

About N-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide

N-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide (PubChem CID 59103977) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide
PubChem CID59103977
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide
SMILESCOc1ccc(COc2ccc(/N=C/NO)cn2)cc1
InChIInChI=1S/C14H15N3O3/c1-19-13-5-2-11(3-6-13)9-20-14-7-4-12(8-15-14)16-10-17-18/h2-8,10,18H,9H2,1H3,(H,16,17)
InChIKeySFDBRDZFEHWSPN-UHFFFAOYSA-N
XLogP2.31
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.31
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide?
The IUPAC name of N-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide (CID 59103977) is N-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide.
What is the SMILES notation for N-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide?
The canonical SMILES for N-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide is COc1ccc(COc2ccc(/N=C/NO)cn2)cc1.
What is the InChIKey of N-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide?
The InChIKey is SFDBRDZFEHWSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-19-13-5-2-11(3-6-13)9-20-14-7-4-12(8-15-14)16-10-17-18/h2-8,10,18H,9H2,1H3,(H,16,17).
What are the key properties of N-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide?
N-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide has a molecular weight of 273.29 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanimidamide is sourced from PubChem (CID 59103977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).