5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine

C17H13N5O2 — CID 6035374

IUPAC5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)c2ccccn2)nc1
InChIInChI=1S/C17H13N5O2/c23-22(24)14-9-10-16(19-12-14)20-21-17(13-6-2-1-3-7-13)15-8-4-5-11-18-15/h1-12H,(H,19,20)/b21-17-
InChIKeyVBORWHKZBJTTEU-FXBPSFAMSA-N
MW319.32 g/mol
LogP3.25
Rot. Bonds5

About 5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine

5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine (PubChem CID 6035374) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
PubChem CID6035374
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)c2ccccn2)nc1
InChIInChI=1S/C17H13N5O2/c23-22(24)14-9-10-16(19-12-14)20-21-17(13-6-2-1-3-7-13)15-8-4-5-11-18-15/h1-12H,(H,19,20)/b21-17-
InChIKeyVBORWHKZBJTTEU-FXBPSFAMSA-N
XLogP3.25
TPSA93.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-[(4-chlorophenyl)-phenylmethylidene]amino]-5-nitropyridin-2-amine
CID 6174563
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
CID 6512079
2-(4-nitrophenyl)-N-[[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 4522420
bis(N-(2,5-dimethoxyphenyl)imino-N'-[(5-nitro-2-pyridinyl)amino]pyridine-2-carboximidamide);nickel
CID 135978134
cerium(3+);tris(N-oxido-1-phenyl-1-pyridin-2-ylmethanimine)
CID 50910437
cerium(3+);tris((E)-N-oxido-1-phenyl-1-pyridin-2-ylmethanimine);chloride
CID 54608591
3-[(Z)-C-pyridin-2-yl-N-(pyridin-2-ylamino)carbonimidoyl]benzenesulfonic acid;dihydrate
CID 76845046
3-fluoro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
CID 134463822
2-hydroxy-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 6262559
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
N-benzoyl-5-nitropyridine-2-carboxamide
CID 21405378
2-hydroxy-2-phenyl-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]acetamide
CID 6305283

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine (CID 6035374) is 5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine is O=[N+]([O-])c1ccc(N/N=C(/c2ccccc2)c2ccccn2)nc1.
What is the InChIKey of 5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine?
The InChIKey is VBORWHKZBJTTEU-FXBPSFAMSA-N. The full InChI is InChI=1S/C17H13N5O2/c23-22(24)14-9-10-16(19-12-14)20-21-17(13-6-2-1-3-7-13)15-8-4-5-11-18-15/h1-12H,(H,19,20)/b21-17-.
What are the key properties of 5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine?
5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine has a molecular weight of 319.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine is sourced from PubChem (CID 6035374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).