N-(4-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide

C15H14N4O3 — CID 6889870

IUPACN-(4-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C/c2cccnc2)cc1
InChIInChI=1S/C15H14N4O3/c1-22-13-6-4-12(5-7-13)18-14(20)15(21)19-17-10-11-3-2-8-16-9-11/h2-10H,1H3,(H,18,20)(H,19,21)/b17-10+
InChIKeyVDDNXUBKAXAJHC-LICLKQGHSA-N
MW298.30 g/mol
LogP1.18
Rot. Bonds4

About N-(4-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide

N-(4-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide (PubChem CID 6889870) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide
PubChem CID6889870
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-(4-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide
SMILESCOc1ccc(NC(=O)C(=O)N/N=C/c2cccnc2)cc1
InChIInChI=1S/C15H14N4O3/c1-22-13-6-4-12(5-7-13)18-14(20)15(21)19-17-10-11-3-2-8-16-9-11/h2-10H,1H3,(H,18,20)(H,19,21)/b17-10+
InChIKeyVDDNXUBKAXAJHC-LICLKQGHSA-N
XLogP1.18
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.18
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide?
The IUPAC name of N-(4-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide (CID 6889870) is N-(4-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide?
The canonical SMILES for N-(4-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide is COc1ccc(NC(=O)C(=O)N/N=C/c2cccnc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide?
The InChIKey is VDDNXUBKAXAJHC-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-22-13-6-4-12(5-7-13)18-14(20)15(21)19-17-10-11-3-2-8-16-9-11/h2-10H,1H3,(H,18,20)(H,19,21)/b17-10+.
What are the key properties of N-(4-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide?
N-(4-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide has a molecular weight of 298.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N'-[(E)-pyridin-3-ylmethylideneamino]oxamide is sourced from PubChem (CID 6889870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).