N-[(E)-(2-azido-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzamide

C16H13N7O2 — CID 24773852

IUPACN-[(E)-(2-azido-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzamide
SMILESCc1c(/C=N/NC(=O)c2ccccc2)c(N=[N+]=[N-])n(C)c(=O)c1C#N
InChIInChI=1S/C16H13N7O2/c1-10-12(8-17)16(25)23(2)14(20-22-18)13(10)9-19-21-15(24)11-6-4-3-5-7-11/h3-7,9H,1-2H3,(H,21,24)/b19-9+
InChIKeyJIVKZKXNNGHZRT-DJKKODMXSA-N
MW335.33 g/mol
LogP2.27
Rot. Bonds4

About N-[(E)-(2-azido-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzamide

N-[(E)-(2-azido-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzamide (PubChem CID 24773852) has the molecular formula C16H13N7O2 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-[(E)-(2-azido-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(E)-(2-azido-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzamide
PubChem CID24773852
Molecular FormulaC16H13N7O2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC NameN-[(E)-(2-azido-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzamide
SMILESCc1c(/C=N/NC(=O)c2ccccc2)c(N=[N+]=[N-])n(C)c(=O)c1C#N
InChIInChI=1S/C16H13N7O2/c1-10-12(8-17)16(25)23(2)14(20-22-18)13(10)9-19-21-15(24)11-6-4-3-5-7-11/h3-7,9H,1-2H3,(H,21,24)/b19-9+
InChIKeyJIVKZKXNNGHZRT-DJKKODMXSA-N
XLogP2.27
TPSA136.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]benzamide
CID 135432776
6-hydroxy-1,4-dimethyl-2-oxo-5-(phenyliminomethyl)pyridine-3-carbonitrile
CID 5127810
[(1-benzyl-5-cyano-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)methylideneamino]urea
CID 4688077
N-[(Z)-(2,4-dimethyl-5-oxo-1-phenylpyrazol-3-yl)methylideneamino]benzamide
CID 9058739
5-[[2-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]phenyl]iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 5080155
6-hydroxy-1,4-dimethyl-5-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]-2-oxopyridine-3-carbonitrile
CID 135544692
5-[(2,6-dimethylphenyl)iminomethyl]-6-hydroxy-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 4194159
N-[(E)-[2-[(3E)-hexa-1,3,5-trien-3-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 135987298
N-[(E)-(6-hydroxy-1-methyl-4-oxo-3-phenyl-2-sulfanylidenepyrimidin-5-yl)methylideneamino]pyridine-4-carboxamide
CID 135450467
5-cyano-4-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 126077875
N-[(E)-[3-[(E)-(benzoylhydrazinylidene)methyl]-5-[(Z)-(benzoylhydrazinylidene)methyl]phenyl]methylideneamino]benzamide
CID 45048078
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
CID 14987546

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-azido-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzamide?
The IUPAC name of N-[(E)-(2-azido-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzamide (CID 24773852) is N-[(E)-(2-azido-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzamide.
What is the SMILES notation for N-[(E)-(2-azido-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzamide?
The canonical SMILES for N-[(E)-(2-azido-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzamide is Cc1c(/C=N/NC(=O)c2ccccc2)c(N=[N+]=[N-])n(C)c(=O)c1C#N.
What is the InChIKey of N-[(E)-(2-azido-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzamide?
The InChIKey is JIVKZKXNNGHZRT-DJKKODMXSA-N. The full InChI is InChI=1S/C16H13N7O2/c1-10-12(8-17)16(25)23(2)14(20-22-18)13(10)9-19-21-15(24)11-6-4-3-5-7-11/h3-7,9H,1-2H3,(H,21,24)/b19-9+.
What are the key properties of N-[(E)-(2-azido-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzamide?
N-[(E)-(2-azido-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzamide has a molecular weight of 335.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-azido-5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)methylideneamino]benzamide is sourced from PubChem (CID 24773852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).