(E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide

C14H10BrN3O3 — CID 103789272

IUPAC(E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)nc1
InChIInChI=1S/C14H10BrN3O3/c15-13-7-4-11(9-16-13)17-14(19)8-3-10-1-5-12(6-2-10)18(20)21/h1-9H,(H,17,19)/b8-3+
InChIKeyDHSZYVIKJPFQEY-FPYGCLRLSA-N
MW348.16 g/mol
LogP3.40
Rot. Bonds4

About (E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide

(E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 103789272) has the molecular formula C14H10BrN3O3 and a molecular weight of 348.16 g/mol. Its IUPAC name is (E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID103789272
Molecular FormulaC14H10BrN3O3
Molecular Weight348.16 g/mol
Exact Mass346.99
IUPAC Name(E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)nc1
InChIInChI=1S/C14H10BrN3O3/c15-13-7-4-11(9-16-13)17-14(19)8-3-10-1-5-12(6-2-10)18(20)21/h1-9H,(H,17,19)/b8-3+
InChIKeyDHSZYVIKJPFQEY-FPYGCLRLSA-N
XLogP3.40
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 26515812
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
(E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
CID 103789430
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide
CID 55713791
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984
3-(4-nitrophenyl)-N-[4-[4-[3-(4-nitrophenyl)prop-2-enoylamino]phenoxy]phenyl]prop-2-enamide
CID 5115471
(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 6085357
(E)-3-(4-nitrophenyl)-N-quinolin-3-ylprop-2-enamide
CID 5372765
(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 17186941
(E)-N-[4-(2-methoxyethoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17186952
N-(5-bromo-2-pyridinyl)-3-[3-(4-nitrophenyl)prop-2-enoylamino]benzamide
CID 76879276

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide (CID 103789272) is (E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)nc1.
What is the InChIKey of (E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is DHSZYVIKJPFQEY-FPYGCLRLSA-N. The full InChI is InChI=1S/C14H10BrN3O3/c15-13-7-4-11(9-16-13)17-14(19)8-3-10-1-5-12(6-2-10)18(20)21/h1-9H,(H,17,19)/b8-3+.
What are the key properties of (E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 348.16 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 103789272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).