N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide

C10H13BrN4O2 — CID 76952947

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide
SMILESCC(CNC(=O)c1cncc(Br)c1)C(N)=NO
InChIInChI=1S/C10H13BrN4O2/c1-6(9(12)15-17)3-14-10(16)7-2-8(11)5-13-4-7/h2,4-6,17H,3H2,1H3,(H2,12,15)(H,14,16)
InChIKeyHAYBPFOOTJCIED-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.96
Rot. Bonds4

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide (PubChem CID 76952947) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide
PubChem CID76952947
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide
SMILESCC(CNC(=O)c1cncc(Br)c1)C(N)=NO
InChIInChI=1S/C10H13BrN4O2/c1-6(9(12)15-17)3-14-10(16)7-2-8(11)5-13-4-7/h2,4-6,17H,3H2,1H3,(H2,12,15)(H,14,16)
InChIKeyHAYBPFOOTJCIED-UHFFFAOYSA-N
XLogP0.96
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.96
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

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-bromobenzamide
CID 55102187
5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide
CID 114313414
N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromothiophene-3-carboxamide
CID 107965180
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3,5-dihydroxybenzamide
CID 107705617
5-bromo-N-[(2R)-2-(ethylamino)propyl]pyridine-3-carboxamide;dihydrochloride
CID 120653060
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
4-[(5-bromopyridine-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538521
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(4-bromophenyl)acetamide
CID 76952762
N-(3-amino-3-hydroxyimino-2-methylpropyl)furan-3-carboxamide
CID 76952612
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-iodobenzamide
CID 76952996
5-[(5-bromopyridine-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682071
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-chloro-4-methylbenzamide
CID 76988296

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide (CID 76952947) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide is CC(CNC(=O)c1cncc(Br)c1)C(N)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide?
The InChIKey is HAYBPFOOTJCIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c1-6(9(12)15-17)3-14-10(16)7-2-8(11)5-13-4-7/h2,4-6,17H,3H2,1H3,(H2,12,15)(H,14,16).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide has a molecular weight of 301.14 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 76952947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).