N'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide

C15H13N5O4 — CID 3102319

IUPACN'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13N5O4/c21-14(17-9-12-4-2-6-16-8-12)15(22)19-18-10-11-3-1-5-13(7-11)20(23)24/h1-8,10H,9H2,(H,17,21)(H,19,22)
InChIKeyMVPALAMZWMQDIF-UHFFFAOYSA-N
MW327.30 g/mol
LogP0.76
Rot. Bonds5

About N'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide

N'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide (PubChem CID 3102319) has the molecular formula C15H13N5O4 and a molecular weight of 327.30 g/mol. Its IUPAC name is N'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
PubChem CID3102319
Molecular FormulaC15H13N5O4
Molecular Weight327.30 g/mol
Exact Mass327.10
IUPAC NameN'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
SMILESO=C(NCc1cccnc1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13N5O4/c21-14(17-9-12-4-2-6-16-8-12)15(22)19-18-10-11-3-1-5-13(7-11)20(23)24/h1-8,10H,9H2,(H,17,21)(H,19,22)
InChIKeyMVPALAMZWMQDIF-UHFFFAOYSA-N
XLogP0.76
TPSA126.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 5398288
N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide
CID 46741725
N'-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
CID 5340243
N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide
CID 40531263
4-[[[2-oxo-2-(pyridin-3-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 3387447
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
N'-[(Z)-(3-ethoxy-4-prop-2-enoxyphenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
CID 6175149
N-(2,6-dimethylphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
CID 8898610
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5050166
N-(3-chlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 606165

Frequently Asked Questions

What is the IUPAC name of N'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide (CID 3102319) is N'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide is O=C(NCc1cccnc1)C(=O)NN=Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide?
The InChIKey is MVPALAMZWMQDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4/c21-14(17-9-12-4-2-6-16-8-12)15(22)19-18-10-11-3-1-5-13(7-11)20(23)24/h1-8,10H,9H2,(H,17,21)(H,19,22).
What are the key properties of N'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide?
N'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide has a molecular weight of 327.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 3102319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).