N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide

C13H14N4O2 — CID 103511119

IUPACN-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide
SMILESC/C(=N/O)c1cccc(NC(=O)c2cncn2C)c1
InChIInChI=1S/C13H14N4O2/c1-9(16-19)10-4-3-5-11(6-10)15-13(18)12-7-14-8-17(12)2/h3-8,19H,1-2H3,(H,15,18)/b16-9-
InChIKeyDTKYUVLBKAJQRN-SXGWCWSVSA-N
MW258.28 g/mol
LogP1.87
Rot. Bonds3

About N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide

N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide (PubChem CID 103511119) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide
PubChem CID103511119
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide
SMILESC/C(=N/O)c1cccc(NC(=O)c2cncn2C)c1
InChIInChI=1S/C13H14N4O2/c1-9(16-19)10-4-3-5-11(6-10)15-13(18)12-7-14-8-17(12)2/h3-8,19H,1-2H3,(H,15,18)/b16-9-
InChIKeyDTKYUVLBKAJQRN-SXGWCWSVSA-N
XLogP1.87
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

3-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 103510399
N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 103511124
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24691047
3-methyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 91802666
3-fluoro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-4-carboxamide
CID 77054769
5-[(3-methylimidazole-4-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 103510438
3,4-dihydroxy-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107728450
5-chloro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-2-carboxamide
CID 77037502
2-fluoro-N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 24708149
N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 76950265
N-(3-chloro-4-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110859280
N-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 43823245

Frequently Asked Questions

What is the IUPAC name of N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide (CID 103511119) is N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide is C/C(=N/O)c1cccc(NC(=O)c2cncn2C)c1.
What is the InChIKey of N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide?
The InChIKey is DTKYUVLBKAJQRN-SXGWCWSVSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9(16-19)10-4-3-5-11(6-10)15-13(18)12-7-14-8-17(12)2/h3-8,19H,1-2H3,(H,15,18)/b16-9-.
What are the key properties of N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide?
N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103511119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).