2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide

C14H15N5O2 — CID 136626363

IUPAC2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide
SMILESN/C(=N\O)C(=NOCc1cccc(N)n1)c1ccccc1
InChIInChI=1S/C14H15N5O2/c15-12-8-4-7-11(17-12)9-21-19-13(14(16)18-20)10-5-2-1-3-6-10/h1-8,20H,9H2,(H2,15,17)(H2,16,18)
InChIKeyLBEPBWRVVSGCJW-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.33
Rot. Bonds5

About 2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide

2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide (PubChem CID 136626363) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide.

Molecular Properties

Compound Name2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide
PubChem CID136626363
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide
SMILESN/C(=N\O)C(=NOCc1cccc(N)n1)c1ccccc1
InChIInChI=1S/C14H15N5O2/c15-12-8-4-7-11(17-12)9-21-19-13(14(16)18-20)10-5-2-1-3-6-10/h1-8,20H,9H2,(H2,15,17)(H2,16,18)
InChIKeyLBEPBWRVVSGCJW-UHFFFAOYSA-N
XLogP1.33
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[2-[2-[(6-amino-2-pyridinyl)methoxy]ethoxy]ethoxymethyl]pyridin-2-amine
CID 102588999
[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine
CID 86653133
6-(1-phenylethoxymethyl)pyridin-2-amine
CID 79239105
3,3-dimethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide;3,3-dimethoxypropanoic acid;6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine
CID 172934086
(NZ)-N-[2-(6-amino-2-pyridinyl)ethylidene]hydroxylamine
CID 51534480
6-[(2-methylpropan-2-yl)oxymethyl]pyridin-2-amine
CID 79239110
(2Z)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-N-methyl-2-phenylethanimidamide
CID 71626941
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 57487780
3-[(6-amino-2-pyridinyl)methoxy]phenol
CID 105469629
tert-butyl N-[6-[[(E)-[2-(hydroxyamino)-2-methylimino-1-phenylethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 137071321
but-3-ynyl-[6-[[(Z)-[2-(methylamino)-2-oxo-1-phenylethylidene]amino]oxymethyl]-2-pyridinyl]carbamic acid
CID 89499308
(2Z)-2-ethoxyimino-2-phenylacetamide
CID 6063894

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide?
The IUPAC name of 2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide (CID 136626363) is 2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide.
What is the SMILES notation for 2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide?
The canonical SMILES for 2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide is N/C(=N\O)C(=NOCc1cccc(N)n1)c1ccccc1.
What is the InChIKey of 2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide?
The InChIKey is LBEPBWRVVSGCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c15-12-8-4-7-11(17-12)9-21-19-13(14(16)18-20)10-5-2-1-3-6-10/h1-8,20H,9H2,(H2,15,17)(H2,16,18).
What are the key properties of 2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide?
2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide has a molecular weight of 285.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-pyridinyl)methoxyimino]-N'-hydroxy-2-phenylethanimidamide is sourced from PubChem (CID 136626363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).