2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide

C12H13N5O2 — CID 138675099

IUPAC2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCN(C(=O)c1cnc(/C=N\O)n1C)c1cccnc1
InChIInChI=1S/C12H13N5O2/c1-16(9-4-3-5-13-6-9)12(18)10-7-14-11(8-15-19)17(10)2/h3-8,19H,1-2H3/b15-8-
InChIKeyXVIQZJBVMVTBTK-NVNXTCNLSA-N
MW259.27 g/mol
LogP0.90
Rot. Bonds3

About 2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide

2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide (PubChem CID 138675099) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
PubChem CID138675099
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCN(C(=O)c1cnc(/C=N\O)n1C)c1cccnc1
InChIInChI=1S/C12H13N5O2/c1-16(9-4-3-5-13-6-9)12(18)10-7-14-11(8-15-19)17(10)2/h3-8,19H,1-2H3/b15-8-
InChIKeyXVIQZJBVMVTBTK-NVNXTCNLSA-N
XLogP0.90
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 156732990
2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134260928
N,3-dimethyl-2-morpholin-4-yl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130302801
N,3-dimethyl-2-(1-methyltriazol-4-yl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 130332406
N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164300
N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164274
2-butylsulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164271
2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130330750
2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164319
N,3-dimethyl-N-pyridin-3-yl-2-(pyridin-2-ylmethylsulfanyl)imidazole-4-carboxamide
CID 134164302
N,3-dimethyl-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 134260897
2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 137496518

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The IUPAC name of 2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide (CID 138675099) is 2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide.
What is the SMILES notation for 2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The canonical SMILES for 2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide is CN(C(=O)c1cnc(/C=N\O)n1C)c1cccnc1.
What is the InChIKey of 2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The InChIKey is XVIQZJBVMVTBTK-NVNXTCNLSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-16(9-4-3-5-13-6-9)12(18)10-7-14-11(8-15-19)17(10)2/h3-8,19H,1-2H3/b15-8-.
What are the key properties of 2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 138675099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).