N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide

C14H12N4O3 — CID 5398288

IUPACN-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)N/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12N4O3/c19-14(8-12-4-2-6-15-9-12)17-16-10-11-3-1-5-13(7-11)18(20)21/h1-7,9-10H,8H2,(H,17,19)/b16-10-
InChIKeyQVFKEUHYMHLTJX-YBEGLDIGSA-N
MW284.28 g/mol
LogP1.68
Rot. Bonds5

About N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide

N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide (PubChem CID 5398288) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide
PubChem CID5398288
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC NameN-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)N/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H12N4O3/c19-14(8-12-4-2-6-15-9-12)17-16-10-11-3-1-5-13(7-11)18(20)21/h1-7,9-10H,8H2,(H,17,19)/b16-10-
InChIKeyQVFKEUHYMHLTJX-YBEGLDIGSA-N
XLogP1.68
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
CID 3102319
2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 110515234
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929758
2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 73385252
N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide
CID 46741725
N-[(4-chlorophenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 727974
2-(1-methylpyrrol-2-yl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5395300
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 19167941

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide (CID 5398288) is N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)N/N=C\c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide?
The InChIKey is QVFKEUHYMHLTJX-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H12N4O3/c19-14(8-12-4-2-6-15-9-12)17-16-10-11-3-1-5-13(7-11)18(20)21/h1-7,9-10H,8H2,(H,17,19)/b16-10-.
What are the key properties of N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide?
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide has a molecular weight of 284.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 5398288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).