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

C14H12N4O3 — CID 5154490

IUPAC2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1ccccc1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C14H12N4O3/c1-10(11-5-4-8-15-9-11)16-17-14(19)12-6-2-3-7-13(12)18(20)21/h2-9H,1H3,(H,17,19)
InChIKeyROFVETSATDUIEJ-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.14
Rot. Bonds4

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

2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide (PubChem CID 5154490) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide.

Molecular Properties

Compound Name2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide
PubChem CID5154490
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide
SMILESCC(=NNC(=O)c1ccccc1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C14H12N4O3/c1-10(11-5-4-8-15-9-11)16-17-14(19)12-6-2-3-7-13(12)18(20)21/h2-9H,1H3,(H,17,19)
InChIKeyROFVETSATDUIEJ-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

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-nitrobenzamide
CID 5396796
N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide
CID 769756
3-hydroxy-N-(1-pyridin-3-ylethylideneamino)naphthalene-2-carboxamide
CID 771599
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728
N-[1-(4-ethoxyphenyl)ethylideneamino]-2-nitrobenzamide
CID 840527
N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39679512
N-[(Z)-1-(2-hydroxy-5-nitrophenyl)ethylideneamino]pyridine-3-carboxamide
CID 136698137
[(Z)-1-pyridin-3-ylethylideneamino]urea
CID 5355222
N-[(E)-1-[3-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-nitrobenzamide
CID 40568232
N-[1-(1-hydroxy-3-oxoinden-2-yl)ethylideneamino]-2-nitrobenzamide
CID 170922650
N-[4-[C-methyl-N-[(2-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4109488
2-chloro-N-[(Z)-1-(4-chloro-3-nitrophenyl)ethylideneamino]benzamide
CID 7937156

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide?
The IUPAC name of 2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide (CID 5154490) is 2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide.
What is the SMILES notation for 2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide?
The canonical SMILES for 2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide is CC(=NNC(=O)c1ccccc1[N+](=O)[O-])c1cccnc1.
What is the InChIKey of 2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide?
The InChIKey is ROFVETSATDUIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-10(11-5-4-8-15-9-11)16-17-14(19)12-6-2-3-7-13(12)18(20)21/h2-9H,1H3,(H,17,19).
What are the key properties of 2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide?
2-nitro-N-(1-pyridin-3-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 2-nitro-N-(1-pyridin-3-ylethylideneamino)benzamide is sourced from PubChem (CID 5154490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).