(E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide

C16H15N3O3 — CID 39570883

IUPAC(E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide
SMILESCCc1ccc(NC(=O)/C=C/c2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O3/c1-2-13-4-5-14(11-15(13)19(21)22)18-16(20)6-3-12-7-9-17-10-8-12/h3-11H,2H2,1H3,(H,18,20)/b6-3+
InChIKeyYEBKAJAVYPMRAH-ZZXKWVIFSA-N
MW297.31 g/mol
LogP3.20
Rot. Bonds5

About (E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide

(E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide (PubChem CID 39570883) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide
PubChem CID39570883
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide
SMILESCCc1ccc(NC(=O)/C=C/c2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O3/c1-2-13-4-5-14(11-15(13)19(21)22)18-16(20)6-3-12-7-9-17-10-8-12/h3-11H,2H2,1H3,(H,18,20)/b6-3+
InChIKeyYEBKAJAVYPMRAH-ZZXKWVIFSA-N
XLogP3.20
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.20
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

N-(4-fluoro-3-nitrophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 874270
N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
CID 79204865
(E)-3-(4-tert-butylphenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide
CID 844305
(E)-3-(4-hydroxyphenyl)-N-(4-methoxy-3-nitrophenyl)prop-2-enamide
CID 84552248
3-(3,4-dichlorophenyl)-N-(4-methyl-3-nitrophenyl)prop-2-enamide
CID 1313034
N-(4-methyl-3-nitrophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5146580
N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide
CID 79199585
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
(E)-N-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 39399792
5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide
CID 114014780
N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide
CID 87044112
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide (CID 39570883) is (E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide is CCc1ccc(NC(=O)/C=C/c2ccncc2)cc1[N+](=O)[O-].
What is the InChIKey of (E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide?
The InChIKey is YEBKAJAVYPMRAH-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-2-13-4-5-14(11-15(13)19(21)22)18-16(20)6-3-12-7-9-17-10-8-12/h3-11H,2H2,1H3,(H,18,20)/b6-3+.
What are the key properties of (E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide?
(E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide has a molecular weight of 297.31 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-ethyl-3-nitrophenyl)-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 39570883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).