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

C15H13N3O4 — CID 26515812

IUPAC(E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C15H13N3O4/c1-22-15-9-5-12(10-16-15)17-14(19)8-4-11-2-6-13(7-3-11)18(20)21/h2-10H,1H3,(H,17,19)/b8-4+
InChIKeyFEZKRFSJTPPZDZ-XBXARRHUSA-N
MW299.29 g/mol
LogP2.65
Rot. Bonds5

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

(E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 26515812) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is (E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID26515812
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name(E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C15H13N3O4/c1-22-15-9-5-12(10-16-15)17-14(19)8-4-11-2-6-13(7-3-11)18(20)21/h2-10H,1H3,(H,17,19)/b8-4+
InChIKeyFEZKRFSJTPPZDZ-XBXARRHUSA-N
XLogP2.65
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 103789272
(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 2547662
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide
CID 55713791
(E)-N,3-bis(4-nitrophenyl)prop-2-enamide
CID 6147286
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 7550836
(E)-3-(3,4-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 162395253
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335
(E)-N-[4-(2-methoxyethoxy)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 17186952
3-(4-nitrophenyl)-N-[4-[4-[3-(4-nitrophenyl)prop-2-enoylamino]phenoxy]phenyl]prop-2-enamide
CID 5115471
3-(3,4-dimethoxyphenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 3475022
(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 17186941
(Z)-N-(4-nitrophenyl)-3-phenylprop-2-enamide
CID 92909984

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide (CID 26515812) is (E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide is COc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of (E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is FEZKRFSJTPPZDZ-XBXARRHUSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-22-15-9-5-12(10-16-15)17-14(19)8-4-11-2-6-13(7-3-11)18(20)21/h2-10H,1H3,(H,17,19)/b8-4+.
What are the key properties of (E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide?
(E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 299.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-methoxy-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 26515812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).