N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide

C14H10BrN3O3 — CID 3489821

IUPACN-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H10BrN3O3/c15-11-5-6-13(16-9-11)17-14(19)7-4-10-2-1-3-12(8-10)18(20)21/h1-9H,(H,16,17,19)
InChIKeyWQOMMQOJAKJPBY-UHFFFAOYSA-N
MW348.16 g/mol
LogP3.40
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide

N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide (PubChem CID 3489821) has the molecular formula C14H10BrN3O3 and a molecular weight of 348.16 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide
PubChem CID3489821
Molecular FormulaC14H10BrN3O3
Molecular Weight348.16 g/mol
Exact Mass346.99
IUPAC NameN-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide
SMILESO=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H10BrN3O3/c15-11-5-6-13(16-9-11)17-14(19)7-4-10-2-1-3-12(8-10)18(20)21/h1-9H,(H,16,17,19)
InChIKeyWQOMMQOJAKJPBY-UHFFFAOYSA-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

N-(5-iodo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide
CID 76873790
3-(3-nitrophenyl)-N-[6-[3-(3-nitrophenyl)prop-2-enoylamino]-2-pyridinyl]prop-2-enamide
CID 4992923
3-(3-nitrophenyl)-N-(5-piperidin-1-yl-2-pyridinyl)prop-2-enamide
CID 76869597
N-[5-(4-fluorophenoxy)-2-pyridinyl]-3-(3-nitrophenyl)prop-2-enamide
CID 72687254
N-(5-bromo-2-pyridinyl)-3-[3-(4-nitrophenyl)prop-2-enoylamino]benzamide
CID 76879276
(E)-3-(3-nitrophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5374478
(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 6085357
(E)-N-(2,6-difluorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 51158974
N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 800746
N-(2-bromo-4-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 1069900
3-(3-nitrophenyl)-N-(pyridin-2-ylcarbamothioyl)prop-2-enamide
CID 885233
N-(4-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 692314

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide (CID 3489821) is N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide is O=C(C=Cc1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide?
The InChIKey is WQOMMQOJAKJPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O3/c15-11-5-6-13(16-9-11)17-14(19)7-4-10-2-1-3-12(8-10)18(20)21/h1-9H,(H,16,17,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide?
N-(5-bromo-2-pyridinyl)-3-(3-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 N-(5-bromo-2-pyridinyl)-3-(3-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 3489821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).