N-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide

C15H16N4O3 — CID 136507162

IUPACN-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide
SMILESO=C(C=Cc1cncc(NCCOc2ccccc2)n1)NO
InChIInChI=1S/C15H16N4O3/c20-15(19-21)7-6-12-10-16-11-14(18-12)17-8-9-22-13-4-2-1-3-5-13/h1-7,10-11,21H,8-9H2,(H,17,18)(H,19,20)
InChIKeyUCEGEHYAYZXHEM-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.49
Rot. Bonds7

About N-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide

N-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide (PubChem CID 136507162) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide
PubChem CID136507162
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide
SMILESO=C(C=Cc1cncc(NCCOc2ccccc2)n1)NO
InChIInChI=1S/C15H16N4O3/c20-15(19-21)7-6-12-10-16-11-14(18-12)17-8-9-22-13-4-2-1-3-5-13/h1-7,10-11,21H,8-9H2,(H,17,18)(H,19,20)
InChIKeyUCEGEHYAYZXHEM-UHFFFAOYSA-N
XLogP1.49
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine
CID 11630185
6-hydrazinyl-N-(3-phenoxypropyl)pyrazin-2-amine
CID 80918884
N-hydroxy-3-[4-[(2-phenoxyethylamino)methyl]phenyl]prop-2-enamide
CID 85390507
(E)-N-(2-phenoxyethyl)-3-pyridin-4-ylprop-2-enamide
CID 39585351
6-(3-phenoxypropylamino)pyridine-2-carboxylic acid
CID 62380614
methyl 6-[2-(3-aminophenoxy)ethylamino]pyrazine-2-carboxylate
CID 66457557
(E)-N-hydroxy-3-(4-phenoxyphenyl)prop-2-enamide
CID 155562725
methyl 4-[(E)-3-oxo-3-(2-phenoxyethylamino)prop-1-enyl]benzoate
CID 26903189
N-[4-(4-methylphenoxy)butyl]-3-quinoxalin-2-ylprop-2-enamide
CID 76884363
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
N-(3-phenoxypropyl)quinolin-2-amine
CID 60678079
N-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine
CID 133276769

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide (CID 136507162) is N-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide is O=C(C=Cc1cncc(NCCOc2ccccc2)n1)NO.
What is the InChIKey of N-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide?
The InChIKey is UCEGEHYAYZXHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-15(19-21)7-6-12-10-16-11-14(18-12)17-8-9-22-13-4-2-1-3-5-13/h1-7,10-11,21H,8-9H2,(H,17,18)(H,19,20).
What are the key properties of N-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide?
N-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide has a molecular weight of 300.32 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[6-(2-phenoxyethylamino)pyrazin-2-yl]prop-2-enamide is sourced from PubChem (CID 136507162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).