N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide

C16H16N4O6 — CID 110523579

IUPACN-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1cccn(C)c1=O
InChIInChI=1S/C16H16N4O6/c1-19-6-4-5-11(16(19)22)15(21)18-17-9-10-7-12(20(23)24)14(26-3)8-13(10)25-2/h4-9H,1-3H3,(H,18,21)/b17-9-
InChIKeyICZFAWCCOBVSQI-MFOYZWKCSA-N
MW360.33 g/mol
LogP1.07
Rot. Bonds6

About N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide

N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 110523579) has the molecular formula C16H16N4O6 and a molecular weight of 360.33 g/mol. Its IUPAC name is N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID110523579
Molecular FormulaC16H16N4O6
Molecular Weight360.33 g/mol
Exact Mass360.11
IUPAC NameN-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1cccn(C)c1=O
InChIInChI=1S/C16H16N4O6/c1-19-6-4-5-11(16(19)22)15(21)18-17-9-10-7-12(20(23)24)14(26-3)8-13(10)25-2/h4-9H,1-3H3,(H,18,21)/b17-9-
InChIKeyICZFAWCCOBVSQI-MFOYZWKCSA-N
XLogP1.07
TPSA125.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523448
N-[(Z)-(4-butoxy-3-methoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523513
N-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 110506679
N-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523471
N-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110525558
N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 40591844
N-[(Z)-(2-chlorophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523599
N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523466
N-[(Z)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 5370784
2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide
CID 126393565
1-methyl-2-oxo-N-[(Z)-(2-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 110523602
N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135589445

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide (CID 110523579) is N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide is COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1cccn(C)c1=O.
What is the InChIKey of N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is ICZFAWCCOBVSQI-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H16N4O6/c1-19-6-4-5-11(16(19)22)15(21)18-17-9-10-7-12(20(23)24)14(26-3)8-13(10)25-2/h4-9H,1-3H3,(H,18,21)/b17-9-.
What are the key properties of N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide?
N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 360.33 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110523579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).