(E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid

C15H11N3O5 — CID 69148147

IUPAC(E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid
SMILESO=C(O)/C(=C\c1cccnc1)NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O5/c19-14(11-3-5-12(6-4-11)18(22)23)17-13(15(20)21)8-10-2-1-7-16-9-10/h1-9H,(H,17,19)(H,20,21)/b13-8+
InChIKeyUMMYRWUCQGSQFK-MDWZMJQESA-N
MW313.27 g/mol
LogP1.85
Rot. Bonds5

About (E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid

(E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid (PubChem CID 69148147) has the molecular formula C15H11N3O5 and a molecular weight of 313.27 g/mol. Its IUPAC name is (E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid
PubChem CID69148147
Molecular FormulaC15H11N3O5
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC Name(E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid
SMILESO=C(O)/C(=C\c1cccnc1)NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H11N3O5/c19-14(11-3-5-12(6-4-11)18(22)23)17-13(15(20)21)8-10-2-1-7-16-9-10/h1-9H,(H,17,19)(H,20,21)/b13-8+
InChIKeyUMMYRWUCQGSQFK-MDWZMJQESA-N
XLogP1.85
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
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'}

Analyze (E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-3-anilino-3-oxo-1-phenylprop-1-en-2-yl]-4-nitrobenzamide
CID 1358748
N-[(Z)-3-[4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]anilino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 22787788
2-benzamido-3-[3-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid
CID 4769102
(E)-2-benzamido-3-[3-(2-chloro-4-nitrophenoxy)phenyl]prop-2-enoic acid
CID 22148253
N-[3-(2-hydroxyethylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 3102804
N-[(E)-1-cyano-2-pyridin-3-ylethenyl]benzamide
CID 5396287
N-[3-(azepan-1-yl)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 818818
N-[(Z)-3-oxo-3-[4-[(E)-3-phenylprop-2-enoyl]anilino]-1-pyridin-3-ylprop-1-en-2-yl]benzamide
CID 22787783
N-[3-[3-(dimethylamino)propylamino]-3-oxo-1-phenylprop-1-en-2-yl]-4-nitrobenzamide
CID 3126647
dimethyl-[3-[[(E)-2-[(4-nitrobenzoyl)amino]-3-phenylprop-2-enoyl]amino]propyl]azanium
CID 7240948
N-[(2E,4Z)-1-(methylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-nitrobenzamide
CID 20833660
N-[3-(4-bromoanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]-4-methylbenzamide
CID 2858615

Frequently Asked Questions

What is the IUPAC name of (E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid?
The IUPAC name of (E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid (CID 69148147) is (E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid.
What is the SMILES notation for (E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid?
The canonical SMILES for (E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid is O=C(O)/C(=C\c1cccnc1)NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid?
The InChIKey is UMMYRWUCQGSQFK-MDWZMJQESA-N. The full InChI is InChI=1S/C15H11N3O5/c19-14(11-3-5-12(6-4-11)18(22)23)17-13(15(20)21)8-10-2-1-7-16-9-10/h1-9H,(H,17,19)(H,20,21)/b13-8+.
What are the key properties of (E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid?
(E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid has a molecular weight of 313.27 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(4-nitrobenzoyl)amino]-3-pyridin-3-ylprop-2-enoic acid is sourced from PubChem (CID 69148147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).