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

C14H10BrN3O3 — CID 102820535

IUPAC(E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc(Br)ccn1
InChIInChI=1S/C14H10BrN3O3/c15-11-7-8-16-13(9-11)17-14(19)6-5-10-3-1-2-4-12(10)18(20)21/h1-9H,(H,16,17,19)/b6-5+
InChIKeyIWXPJDOMLLAPSY-AATRIKPKSA-N
MW348.16 g/mol
LogP3.40
Rot. Bonds4

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

(E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide (PubChem CID 102820535) has the molecular formula C14H10BrN3O3 and a molecular weight of 348.16 g/mol. Its IUPAC name is (E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
PubChem CID102820535
Molecular FormulaC14H10BrN3O3
Molecular Weight348.16 g/mol
Exact Mass346.99
IUPAC Name(E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc(Br)ccn1
InChIInChI=1S/C14H10BrN3O3/c15-11-7-8-16-13(9-11)17-14(19)6-5-10-3-1-2-4-12(10)18(20)21/h1-9H,(H,16,17,19)/b6-5+
InChIKeyIWXPJDOMLLAPSY-AATRIKPKSA-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': '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-bromo-2-pyridinyl)-3-phenylprop-2-enamide
CID 102820533
N-(2-bromophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 4049212
(E)-3-(2-nitrophenyl)-N-(2,4,6-trimethyl-3-pyridinyl)prop-2-enamide
CID 78837444
2-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 6014839
N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 690173
(Z)-N-(4-methylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 2303612
(E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 102820557
(E)-N-(2,6-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 51158962
4-bromo-N'-[(E)-3-(2-nitrophenyl)prop-2-enoyl]benzohydrazide
CID 26912181
(E)-3-(2-nitrophenyl)-N-(2-pyridin-4-ylphenyl)prop-2-enamide
CID 166201662
(E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
CID 56826558
(E)-N-(2,5-difluorophenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 40650884

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide (CID 102820535) is (E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide is O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cc(Br)ccn1.
What is the InChIKey of (E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide?
The InChIKey is IWXPJDOMLLAPSY-AATRIKPKSA-N. The full InChI is InChI=1S/C14H10BrN3O3/c15-11-7-8-16-13(9-11)17-14(19)6-5-10-3-1-2-4-12(10)18(20)21/h1-9H,(H,16,17,19)/b6-5+.
What are the key properties of (E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide?
(E)-N-(4-bromo-2-pyridinyl)-3-(2-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-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 102820535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).