N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide

C13H15N5O2 — CID 107356576

IUPACN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide
SMILESCC(/C(N)=N/O)N(C)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C13H15N5O2/c1-8(12(14)17-20)18(2)13(19)11-7-15-9-5-3-4-6-10(9)16-11/h3-8,20H,1-2H3,(H2,14,17)
InChIKeyPSMFGDGBJACXTC-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.84
Rot. Bonds3

About N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide

N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide (PubChem CID 107356576) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide
PubChem CID107356576
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide
SMILESCC(/C(N)=N/O)N(C)C(=O)c1cnc2ccccc2n1
InChIInChI=1S/C13H15N5O2/c1-8(12(14)17-20)18(2)13(19)11-7-15-9-5-3-4-6-10(9)16-11/h3-8,20H,1-2H3,(H2,14,17)
InChIKeyPSMFGDGBJACXTC-UHFFFAOYSA-N
XLogP0.84
TPSA104.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
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-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-propan-2-ylquinoxaline-2-carboxamide
CID 107356587
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-5-fluoro-N-methylpyridine-2-carboxamide
CID 104639471
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N,1-dimethylpyrazole-3-carboxamide
CID 103121422
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]quinoxaline-2-carboxamide
CID 107356567
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,6-dimethoxy-N-methylbenzamide
CID 76928224
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methylquinoxaline-2-carboxamide
CID 31351364
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide
CID 95614602
2-amino-1-quinoxalin-2-ylpropan-1-one
CID 84670100
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]quinoxaline-2-carboxamide
CID 107356568
N-(3-aminopropyl)-N-methylquinoxaline-2-carboxamide
CID 113265814
N-(1-amino-1-hydroxyiminopropan-2-yl)-N,4-dimethylbenzamide
CID 76928136
N-methyl-N-[(4-propan-2-ylphenyl)methyl]quinoxaline-2-carboxamide
CID 46546463

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide (CID 107356576) is N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide is CC(/C(N)=N/O)N(C)C(=O)c1cnc2ccccc2n1.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide?
The InChIKey is PSMFGDGBJACXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8(12(14)17-20)18(2)13(19)11-7-15-9-5-3-4-6-10(9)16-11/h3-8,20H,1-2H3,(H2,14,17).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide?
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide has a molecular weight of 273.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N-methylquinoxaline-2-carboxamide is sourced from PubChem (CID 107356576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).