(E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide

C15H13N3O3 — CID 890933

IUPAC(E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1cccnc1
InChIInChI=1S/C15H13N3O3/c19-15(17-11-12-4-3-9-16-10-12)8-7-13-5-1-2-6-14(13)18(20)21/h1-10H,11H2,(H,17,19)/b8-7+
InChIKeyBOSPMJRCPQOJBV-BQYQJAHWSA-N
MW283.29 g/mol
LogP2.32
Rot. Bonds5

About (E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide

(E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide (PubChem CID 890933) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is (E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
PubChem CID890933
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name(E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1cccnc1
InChIInChI=1S/C15H13N3O3/c19-15(17-11-12-4-3-9-16-10-12)8-7-13-5-1-2-6-14(13)18(20)21/h1-10H,11H2,(H,17,19)/b8-7+
InChIKeyBOSPMJRCPQOJBV-BQYQJAHWSA-N
XLogP2.32
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.32
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)-3-(2-cyanophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 37171992
(E)-3-(2-nitrophenyl)-N-(1H-pyrrol-3-ylmethyl)prop-2-enamide
CID 106385811
3-(2-nitrophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 73424015
(E)-3-[2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 22087304
(E)-N-[(2-methylphenyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 9104688
(E)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 60736022
(E)-3-(2-nitrophenyl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]prop-2-enamide
CID 31174918
N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 71321108
(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 13405147
(E)-N-(4-methyl-3-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
CID 56826558
N-benzyl-2-[3-(2-nitrophenyl)prop-2-enoylamino]benzamide
CID 3319172
(E)-3-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 847396

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide (CID 890933) is (E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1cccnc1.
What is the InChIKey of (E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
The InChIKey is BOSPMJRCPQOJBV-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-15(17-11-12-4-3-9-16-10-12)8-7-13-5-1-2-6-14(13)18(20)21/h1-10H,11H2,(H,17,19)/b8-7+.
What are the key properties of (E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide?
(E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide has a molecular weight of 283.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-nitrophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide is sourced from PubChem (CID 890933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).