N-[(E)-3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide

C21H17N3O3 — CID 5442100

IUPACN-[(E)-3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
SMILESO=C(Nc1ccc(O)cc1)/C(=C\c1ccncc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H17N3O3/c25-18-8-6-17(7-9-18)23-21(27)19(14-15-10-12-22-13-11-15)24-20(26)16-4-2-1-3-5-16/h1-14,25H,(H,23,27)(H,24,26)/b19-14+
InChIKeyRWNSARVYMMLJFT-XMHGGMMESA-N
MW359.39 g/mol
LogP3.20
Rot. Bonds5

About N-[(E)-3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide

N-[(E)-3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide (PubChem CID 5442100) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(E)-3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
PubChem CID5442100
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[(E)-3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
SMILESO=C(Nc1ccc(O)cc1)/C(=C\c1ccncc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H17N3O3/c25-18-8-6-17(7-9-18)23-21(27)19(14-15-10-12-22-13-11-15)24-20(26)16-4-2-1-3-5-16/h1-14,25H,(H,23,27)(H,24,26)/b19-14+
InChIKeyRWNSARVYMMLJFT-XMHGGMMESA-N
XLogP3.20
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide (CID 5442100) is N-[(E)-3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide is O=C(Nc1ccc(O)cc1)/C(=C\c1ccncc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide?
The InChIKey is RWNSARVYMMLJFT-XMHGGMMESA-N. The full InChI is InChI=1S/C21H17N3O3/c25-18-8-6-17(7-9-18)23-21(27)19(14-15-10-12-22-13-11-15)24-20(26)16-4-2-1-3-5-16/h1-14,25H,(H,23,27)(H,24,26)/b19-14+.
What are the key properties of N-[(E)-3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide?
N-[(E)-3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide has a molecular weight of 359.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(4-hydroxyanilino)-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 5442100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).