N-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide

C14H13BrN4O2 — CID 76978921

IUPACN-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide
SMILESNC(=NO)C(NC(=O)c1ccc(Br)cn1)c1ccccc1
InChIInChI=1S/C14H13BrN4O2/c15-10-6-7-11(17-8-10)14(20)18-12(13(16)19-21)9-4-2-1-3-5-9/h1-8,12,21H,(H2,16,19)(H,18,20)
InChIKeyZLKQRHHHDYMAFO-UHFFFAOYSA-N
MW349.19 g/mol
LogP2.06
Rot. Bonds4

About N-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide

N-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide (PubChem CID 76978921) has the molecular formula C14H13BrN4O2 and a molecular weight of 349.19 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide
PubChem CID76978921
Molecular FormulaC14H13BrN4O2
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC NameN-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide
SMILESNC(=NO)C(NC(=O)c1ccc(Br)cn1)c1ccccc1
InChIInChI=1S/C14H13BrN4O2/c15-10-6-7-11(17-8-10)14(20)18-12(13(16)19-21)9-4-2-1-3-5-9/h1-8,12,21H,(H2,16,19)(H,18,20)
InChIKeyZLKQRHHHDYMAFO-UHFFFAOYSA-N
XLogP2.06
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.06
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-2-phenylacetic acid
CID 103804582
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-bromopyridine-2-carboxamide
CID 77038852
N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 76983689
N-[(2Z)-2-amino-2-hydroxyimino-1-phenylethyl]-1-methylimidazole-4-carboxamide
CID 107974192
N-[(2E)-2-amino-2-hydroxyimino-1-phenylethyl]-5-bromothiophene-3-carboxamide
CID 107965133
(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 62959310
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62958073
N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiadiazole-5-carboxamide
CID 77059315
N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874
(2E)-2-(5-bromo-2-pyridinyl)-2-hydroxyiminoacetic acid
CID 175111598
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 94903176

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide (CID 76978921) is N-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide is NC(=NO)C(NC(=O)c1ccc(Br)cn1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide?
The InChIKey is ZLKQRHHHDYMAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2/c15-10-6-7-11(17-8-10)14(20)18-12(13(16)19-21)9-4-2-1-3-5-9/h1-8,12,21H,(H2,16,19)(H,18,20).
What are the key properties of N-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide?
N-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide has a molecular weight of 349.19 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide is sourced from PubChem (CID 76978921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).