3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide

C14H12N4O3 — CID 872063

IUPAC3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1
InChIInChI=1S/C14H12N4O3/c1-10(13-7-2-3-8-15-13)16-17-14(19)11-5-4-6-12(9-11)18(20)21/h2-9H,1H3,(H,17,19)
InChIKeyVAVIDKHNBUDQRH-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.14
Rot. Bonds4

About 3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide

3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide (PubChem CID 872063) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide.

Molecular Properties

Compound Name3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide
PubChem CID872063
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1
InChIInChI=1S/C14H12N4O3/c1-10(13-7-2-3-8-15-13)16-17-14(19)11-5-4-6-12(9-11)18(20)21/h2-9H,1H3,(H,17,19)
InChIKeyVAVIDKHNBUDQRH-UHFFFAOYSA-N
XLogP2.14
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.14
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

3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 40532157
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5334715
3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
3-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 4180611
3-bromo-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 5414676
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
CID 7124405
3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 1070769
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
N-[1-(4-fluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3353114
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 6005779
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-3-nitrobenzamide
CID 5448440

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide?
The IUPAC name of 3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide (CID 872063) is 3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide.
What is the SMILES notation for 3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide?
The canonical SMILES for 3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide is CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1.
What is the InChIKey of 3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide?
The InChIKey is VAVIDKHNBUDQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-10(13-7-2-3-8-15-13)16-17-14(19)11-5-4-6-12(9-11)18(20)21/h2-9H,1H3,(H,17,19).
What are the key properties of 3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide?
3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide has a molecular weight of 284.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide is sourced from PubChem (CID 872063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).