(E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide

C20H15N3O3 — CID 166201662

IUPAC(E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1-c1ccncc1
InChIInChI=1S/C20H15N3O3/c24-20(10-9-16-5-1-4-8-19(16)23(25)26)22-18-7-3-2-6-17(18)15-11-13-21-14-12-15/h1-14H,(H,22,24)/b10-9+
InChIKeyIGHFMQDUFBDKEL-MDZDMXLPSA-N
MW345.36 g/mol
LogP4.31
Rot. Bonds5

About (E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide

(E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide (PubChem CID 166201662) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is (E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide
PubChem CID166201662
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name(E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1-c1ccncc1
InChIInChI=1S/C20H15N3O3/c24-20(10-9-16-5-1-4-8-19(16)23(25)26)22-18-7-3-2-6-17(18)15-11-13-21-14-12-15/h1-14H,(H,22,24)/b10-9+
InChIKeyIGHFMQDUFBDKEL-MDZDMXLPSA-N
XLogP4.31
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_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

(E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
CID 56826558
N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4049212
2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6014839
N-(2-acetylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 73449712
(E)-3-(2-nitrophenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 26881562
(E)-N-[2-(difluoromethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 17395073
(E)-N-(2,5-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 40650884
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 16568447
(E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
CID 102820535
N-(2-chloro-4-nitrophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 3364955
(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 47789771
3-(2-nitrophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 1304786

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide (CID 166201662) is (E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide is O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1-c1ccncc1.
What is the InChIKey of (E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide?
The InChIKey is IGHFMQDUFBDKEL-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-20(10-9-16-5-1-4-8-19(16)23(25)26)22-18-7-3-2-6-17(18)15-11-13-21-14-12-15/h1-14H,(H,22,24)/b10-9+.
What are the key properties of (E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide?
(E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide has a molecular weight of 345.36 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 166201662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).