N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide

C13H11N3O3 — CID 167981545

IUPACN-[4-(2-nitrophenyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccccc2[N+](=O)[O-])ccn1
InChIInChI=1S/C13H11N3O3/c1-9(17)15-13-8-10(6-7-14-13)11-4-2-3-5-12(11)16(18)19/h2-8H,1H3,(H,14,15,17)
InChIKeySCFQIZXPSRLQFO-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.62
Rot. Bonds3

About N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide

N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide (PubChem CID 167981545) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-nitrophenyl)-2-pyridinyl]acetamide
PubChem CID167981545
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN-[4-(2-nitrophenyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccccc2[N+](=O)[O-])ccn1
InChIInChI=1S/C13H11N3O3/c1-9(17)15-13-8-10(6-7-14-13)11-4-2-3-5-12(11)16(18)19/h2-8H,1H3,(H,14,15,17)
InChIKeySCFQIZXPSRLQFO-UHFFFAOYSA-N
XLogP2.62
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(3-fluorophenyl)-N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide
CID 175599495
4-(2-nitrophenyl)-2-phenylpyridine
CID 102105042
N-(4-pyridin-2-yl-2-pyridinyl)acetamide
CID 22601790
N-(5-nitroisoquinolin-3-yl)acetamide
CID 16749041
2-(3,5-difluorophenyl)-N-[4-(4-methoxy-2-nitrophenyl)-2-pyridinyl]acetamide
CID 175599489
N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide
CID 139794873
1-(3-methylphenyl)-2-nitrobenzene
CID 12592509
N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62191141
2-chloro-4-(2-nitrophenyl)benzoic acid
CID 70699639
[4-(2-nitrophenyl)pyrimidin-2-yl]carbamic acid
CID 139503337
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
N-[2-(2-acetamido-3-nitrobenzoyl)-6-nitrophenyl]acetamide
CID 71373249

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide (CID 167981545) is N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2ccccc2[N+](=O)[O-])ccn1.
What is the InChIKey of N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide?
The InChIKey is SCFQIZXPSRLQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-9(17)15-13-8-10(6-7-14-13)11-4-2-3-5-12(11)16(18)19/h2-8H,1H3,(H,14,15,17).
What are the key properties of N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide?
N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide has a molecular weight of 257.25 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 167981545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).