N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide

C13H15N5O2 — CID 104615583

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide
SMILESCC(CNC(=O)c1cccc2nccnc12)/C(N)=N/O
InChIInChI=1S/C13H15N5O2/c1-8(12(14)18-20)7-17-13(19)9-3-2-4-10-11(9)16-6-5-15-10/h2-6,8,20H,7H2,1H3,(H2,14,18)(H,17,19)
InChIKeyVIPVSRDOLYMXJK-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.74
Rot. Bonds4

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide (PubChem CID 104615583) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide
PubChem CID104615583
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide
SMILESCC(CNC(=O)c1cccc2nccnc12)/C(N)=N/O
InChIInChI=1S/C13H15N5O2/c1-8(12(14)18-20)7-17-13(19)9-3-2-4-10-11(9)16-6-5-15-10/h2-6,8,20H,7H2,1H3,(H2,14,18)(H,17,19)
InChIKeyVIPVSRDOLYMXJK-UHFFFAOYSA-N
XLogP0.74
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.74
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-3-methylbutyl)quinoxaline-5-carboxamide
CID 104580610
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-hydroxy-3-methylbenzamide
CID 76952616
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-methylsulfanylbenzamide
CID 79205826
N-[2-(propan-2-ylamino)ethyl]quinoxaline-5-carboxamide
CID 104615463
N-(3-chlorobutyl)quinoxaline-5-carboxamide
CID 104615743
N-(cyanomethyl)quinoxaline-5-carboxamide
CID 104580010
N-(1-amino-1-sulfanylidenepropan-2-yl)quinoxaline-5-carboxamide
CID 104614287
N-(2-methylpropoxy)quinoxaline-5-carboxamide
CID 104578317
N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
CID 104613993
N-(4-amino-4-sulfanylidenebutan-2-yl)quinoxaline-5-carboxamide
CID 104614301
N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330
2-(quinoxaline-5-carbonylamino)ethyl acetate
CID 150834987

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide (CID 104615583) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide is CC(CNC(=O)c1cccc2nccnc12)/C(N)=N/O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide?
The InChIKey is VIPVSRDOLYMXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8(12(14)18-20)7-17-13(19)9-3-2-4-10-11(9)16-6-5-15-10/h2-6,8,20H,7H2,1H3,(H2,14,18)(H,17,19).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 104615583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).