N-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide

C16H16N4O3 — CID 94846472

IUPACN-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccncc1
InChIInChI=1S/C16H16N4O3/c1-11-3-4-14(23-2)13(9-11)19-15(21)16(22)20-18-10-12-5-7-17-8-6-12/h3-10H,1-2H3,(H,19,21)(H,20,22)/b18-10-
InChIKeyOPWPHLCUIVDLFP-ZDLGFXPLSA-N
MW312.33 g/mol
LogP1.49
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide

N-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide (PubChem CID 94846472) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
PubChem CID94846472
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccncc1
InChIInChI=1S/C16H16N4O3/c1-11-3-4-14(23-2)13(9-11)19-15(21)16(22)20-18-10-12-5-7-17-8-6-12/h3-10H,1-2H3,(H,19,21)(H,20,22)/b18-10-
InChIKeyOPWPHLCUIVDLFP-ZDLGFXPLSA-N
XLogP1.49
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_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'-[(3,4-dimethoxyphenyl)methylideneamino]-N-(2,4-dimethylphenyl)oxamide
CID 5078309
N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 4118036
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-hydroxyphenyl)methylideneamino]oxamide
CID 135554167
N-(2,5-dimethoxyphenyl)-N'-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 6112689
N-(2,5-dimethoxyphenyl)-N'-[(E)-(4-ethoxyphenyl)methylideneamino]oxamide
CID 19661133
N-(2,5-dimethoxyphenyl)-N'-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4188628
N-(5-chloro-2-methoxyphenyl)-N'-[(Z)-(4-methylsulfanylphenyl)methylideneamino]oxamide
CID 94847462
1-(3,4-dimethoxyphenyl)-3-(pyridin-4-ylmethylideneamino)thiourea
CID 5110693
2-methoxy-5-[(Z)-[[2-(3-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 8897867
N-(2,4-dimethoxyphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4559899
N'-[(4-hydroxyphenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3615821
N'-[(4-fluorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3102438

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide (CID 94846472) is N-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide is COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccncc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide?
The InChIKey is OPWPHLCUIVDLFP-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-11-3-4-14(23-2)13(9-11)19-15(21)16(22)20-18-10-12-5-7-17-8-6-12/h3-10H,1-2H3,(H,19,21)(H,20,22)/b18-10-.
What are the key properties of N-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide?
N-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide has a molecular weight of 312.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-N'-[(Z)-pyridin-4-ylmethylideneamino]oxamide is sourced from PubChem (CID 94846472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).