2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)acetamide

C14H13N3O3 — CID 2083450

IUPAC2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cccnc1
InChIInChI=1S/C14H13N3O3/c18-14(16-10-12-2-1-7-15-9-12)8-11-3-5-13(6-4-11)17(19)20/h1-7,9H,8,10H2,(H,16,18)
InChIKeySQQPWRJXYOOSBI-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.85
Rot. Bonds5

About 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)acetamide

2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 2083450) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID2083450
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cccnc1
InChIInChI=1S/C14H13N3O3/c18-14(16-10-12-2-1-7-15-9-12)8-11-3-5-13(6-4-11)17(19)20/h1-7,9H,8,10H2,(H,16,18)
InChIKeySQQPWRJXYOOSBI-UHFFFAOYSA-N
XLogP1.85
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.85
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

Pyrinuron
CID 40813
Norcotinine
CID 413
N-(4-pyridyl)benzamide
CID 78893
Pyridine, 3-(p-nitrobenzamido)-
CID 83332
Demethylcotinine
CID 92223
4-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 676069
N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 653424
5-Nitro-2-[(pyridin-3-ylmethyl)amino]benzamide
CID 2906793
2-phenyl-N-(pyridin-4-yl)butanamide
CID 427060
4-acetamido-N-(pyridin-3-ylmethyl)benzamide
CID 669478
3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 871256
(4-Nitrophenyl)-4-pyridinylmethanone
CID 670484

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)acetamide (CID 2083450) is 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cccnc1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is SQQPWRJXYOOSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-14(16-10-12-2-1-7-15-9-12)8-11-3-5-13(6-4-11)17(19)20/h1-7,9H,8,10H2,(H,16,18).
What are the key properties of 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)acetamide?
2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 271.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 2083450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).