(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide

C14H10N4O5 — CID 6085357

IUPAC(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H10N4O5/c19-14(16-13-7-6-12(9-15-13)18(22)23)8-3-10-1-4-11(5-2-10)17(20)21/h1-9H,(H,15,16,19)/b8-3+
InChIKeySKONOTMJWATNEI-FPYGCLRLSA-N
MW314.26 g/mol
LogP2.55
Rot. Bonds5

About (E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide

(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide (PubChem CID 6085357) has the molecular formula C14H10N4O5 and a molecular weight of 314.26 g/mol. Its IUPAC name is (E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
PubChem CID6085357
Molecular FormulaC14H10N4O5
Molecular Weight314.26 g/mol
Exact Mass314.07
IUPAC Name(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C14H10N4O5/c19-14(16-13-7-6-12(9-15-13)18(22)23)8-3-10-1-4-11(5-2-10)17(20)21/h1-9H,(H,15,16,19)/b8-3+
InChIKeySKONOTMJWATNEI-FPYGCLRLSA-N
XLogP2.55
TPSA128.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-(2-chlorophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 3289911
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
(E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 103789272
N-(5-bromo-2-pyridinyl)-3-[3-(4-nitrophenyl)prop-2-enoylamino]benzamide
CID 76879276
N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide
CID 3489821
N-(5-iodo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide
CID 76873790
(E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 26515812
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 3-(4-nitrophenyl)prop-2-enoate
CID 5025712
(E)-3-(4-chloro-3-nitrophenyl)-N-(5-chloro-2-pyridinyl)prop-2-enamide
CID 21213207
(E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide
CID 5372765
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide (CID 6085357) is (E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of (E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide?
The InChIKey is SKONOTMJWATNEI-FPYGCLRLSA-N. The full InChI is InChI=1S/C14H10N4O5/c19-14(16-13-7-6-12(9-15-13)18(22)23)8-3-10-1-4-11(5-2-10)17(20)21/h1-9H,(H,15,16,19)/b8-3+.
What are the key properties of (E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide?
(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide has a molecular weight of 314.26 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide is sourced from PubChem (CID 6085357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).