2-benzamido-4-nitro-N-pyridin-3-ylbenzamide

C19H14N4O4 — CID 1267963

IUPAC2-benzamido-4-nitro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccnc1)c1ccccc1
InChIInChI=1S/C19H14N4O4/c24-18(13-5-2-1-3-6-13)22-17-11-15(23(26)27)8-9-16(17)19(25)21-14-7-4-10-20-12-14/h1-12H,(H,21,25)(H,22,24)
InChIKeyOBOUEQNDBSZJHW-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.49
Rot. Bonds5

About 2-benzamido-4-nitro-N-pyridin-3-ylbenzamide

2-benzamido-4-nitro-N-pyridin-3-ylbenzamide (PubChem CID 1267963) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-benzamido-4-nitro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-benzamido-4-nitro-N-pyridin-3-ylbenzamide
PubChem CID1267963
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name2-benzamido-4-nitro-N-pyridin-3-ylbenzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccnc1)c1ccccc1
InChIInChI=1S/C19H14N4O4/c24-18(13-5-2-1-3-6-13)22-17-11-15(23(26)27)8-9-16(17)19(25)21-14-7-4-10-20-12-14/h1-12H,(H,21,25)(H,22,24)
InChIKeyOBOUEQNDBSZJHW-UHFFFAOYSA-N
XLogP3.49
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pyridine, 3-(p-nitrobenzamido)-
CID 83332
4-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 676069
5-Nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
CID 2906793
N-(2-methyl-5-(3-(trifluoromethyl)benzamido)phenyl)nicotinamide
CID 44593434
N-(2-methyl-5-nitrophenyl)pyridine-3-carboxamide
CID 771973
4-amino-N-(pyridin-3-yl)benzamide
CID 215946
2-benzamido-N-pyridin-3-ylbenzamide
CID 730923
2-Benzoylamino-N-pyridin-4-yl-benzamide
CID 730926
3-methyl-4-nitro-N-pyridin-4-ylbenzamide
CID 763059
N-(4-{[(2-phenylethyl)amino]carbonyl}phenyl)nicotinamide
CID 847915
1-(4-Nitrophenyl)-3-{[4-(4-pyridinylmethyl)phenyl]amino}-1-propanone
CID 1287136
4-[(2-cyanoacetyl)amino]-N-pyridin-3-ylbenzamide
CID 2450527

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-nitro-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-benzamido-4-nitro-N-pyridin-3-ylbenzamide (CID 1267963) is 2-benzamido-4-nitro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-benzamido-4-nitro-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-benzamido-4-nitro-N-pyridin-3-ylbenzamide is O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccnc1)c1ccccc1.
What is the InChIKey of 2-benzamido-4-nitro-N-pyridin-3-ylbenzamide?
The InChIKey is OBOUEQNDBSZJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c24-18(13-5-2-1-3-6-13)22-17-11-15(23(26)27)8-9-16(17)19(25)21-14-7-4-10-20-12-14/h1-12H,(H,21,25)(H,22,24).
What are the key properties of 2-benzamido-4-nitro-N-pyridin-3-ylbenzamide?
2-benzamido-4-nitro-N-pyridin-3-ylbenzamide has a molecular weight of 362.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4-nitro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 1267963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).