N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide

C14H12N4O2 — CID 4192624

IUPACN'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide
SMILESNC(=O)C(=O)NN=C(c1ccccc1)c1ccncc1
InChIInChI=1S/C14H12N4O2/c15-13(19)14(20)18-17-12(10-4-2-1-3-5-10)11-6-8-16-9-7-11/h1-9H,(H2,15,19)(H,18,20)
InChIKeyAPSAJIPTLJJYJI-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.44
Rot. Bonds3

About N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide

N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide (PubChem CID 4192624) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide.

Molecular Properties

Compound NameN'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide
PubChem CID4192624
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide
SMILESNC(=O)C(=O)NN=C(c1ccccc1)c1ccncc1
InChIInChI=1S/C14H12N4O2/c15-13(19)14(20)18-17-12(10-4-2-1-3-5-10)11-6-8-16-9-7-11/h1-9H,(H2,15,19)(H,18,20)
InChIKeyAPSAJIPTLJJYJI-UHFFFAOYSA-N
XLogP0.44
TPSA97.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6522388
3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6872195
N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide
CID 7256390
benzamide;pyridine-4-carboxamide
CID 175267661
4-nitro-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409143
N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide
CID 5002816
4-nitro-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 5409142
2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride
CID 88671183
2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 3429251
N-[[phenyl(thiophen-2-yl)methylidene]amino]pyridine-4-carboxamide
CID 678526
2-(4-methoxyphenyl)-N-[[phenyl(pyridin-4-yl)methylidene]amino]acetamide
CID 840449
N-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide
CID 5082604

Frequently Asked Questions

What is the IUPAC name of N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide?
The IUPAC name of N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide (CID 4192624) is N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide.
What is the SMILES notation for N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide?
The canonical SMILES for N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide is NC(=O)C(=O)NN=C(c1ccccc1)c1ccncc1.
What is the InChIKey of N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide?
The InChIKey is APSAJIPTLJJYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-13(19)14(20)18-17-12(10-4-2-1-3-5-10)11-6-8-16-9-7-11/h1-9H,(H2,15,19)(H,18,20).
What are the key properties of N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide?
N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide has a molecular weight of 268.28 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide is sourced from PubChem (CID 4192624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).