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

C15H13N3O3 — CID 139794873

IUPACN-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C=Cc2ccc([N+](=O)[O-])cc2)ccn1
InChIInChI=1S/C15H13N3O3/c1-11(19)17-15-10-13(8-9-16-15)3-2-12-4-6-14(7-5-12)18(20)21/h2-10H,1H3,(H,16,17,19)
InChIKeyMPHGOCNLRVDQRW-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.12
Rot. Bonds4

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

N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide (PubChem CID 139794873) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide
PubChem CID139794873
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C=Cc2ccc([N+](=O)[O-])cc2)ccn1
InChIInChI=1S/C15H13N3O3/c1-11(19)17-15-10-13(8-9-16-15)3-2-12-4-6-14(7-5-12)18(20)21/h2-10H,1H3,(H,16,17,19)
InChIKeyMPHGOCNLRVDQRW-UHFFFAOYSA-N
XLogP3.12
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.12
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'}

Analyze N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(1Z,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]phenyl]acetamide
CID 92526201
N-[5-[(Z)-2-(4-nitrophenyl)ethenyl]-1,3-thiazol-2-yl]acetamide
CID 86595596
N-[4-[(4-nitro-2-pyridinyl)amino]phenyl]acetamide
CID 94281750
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342
tert-butyl N-[4-(4-nitroanilino)-2-pyridinyl]carbamate
CID 157043927
N-(4-bromo-2-pyridinyl)-4-nitrobenzamide
CID 102674414
(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 6085357
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
N-[4-(4-nitrophenyl)but-3-enyl]acetamide
CID 170488748
N-[4-(2-nitrophenyl)-2-pyridinyl]acetamide
CID 167981545
N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 115577532
5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
CID 68740509

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide (CID 139794873) is N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(C=Cc2ccc([N+](=O)[O-])cc2)ccn1.
What is the InChIKey of N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide?
The InChIKey is MPHGOCNLRVDQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-11(19)17-15-10-13(8-9-16-15)3-2-12-4-6-14(7-5-12)18(20)21/h2-10H,1H3,(H,16,17,19).
What are the key properties of N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide?
N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide has a molecular weight of 283.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-nitrophenyl)ethenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 139794873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).