N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide

C23H20N4O3 — CID 5341542

IUPACN-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
SMILESCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccncc2)cc1
InChIInChI=1S/C23H20N4O3/c1-30-20-9-7-17(8-10-20)15-21(26-22(28)19-5-3-2-4-6-19)23(29)27-25-16-18-11-13-24-14-12-18/h2-16H,1H3,(H,26,28)(H,27,29)/b21-15-,25-16+
InChIKeyJOBNPYGSYSOBAN-ODYMTFIRSA-N
MW400.44 g/mol
LogP3.01
Rot. Bonds7

About N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide

N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide (PubChem CID 5341542) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
PubChem CID5341542
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
SMILESCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccncc2)cc1
InChIInChI=1S/C23H20N4O3/c1-30-20-9-7-17(8-10-20)15-21(26-22(28)19-5-3-2-4-6-19)23(29)27-25-16-18-11-13-24-14-12-18/h2-16H,1H3,(H,26,28)(H,27,29)/b21-15-,25-16+
InChIKeyJOBNPYGSYSOBAN-ODYMTFIRSA-N
XLogP3.01
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Verazide
CID 9574235
2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide
CID 799060
N'-[(E)-(4-methoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 5390727
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
CID 6897208
Ave-0118
CID 9811357
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]pyridine-2-carboxamide
CID 6880157
(E)-N'-(3-methoxybenzylidene)-2-morpholino-2-(pyridin-4-yl)acetohydrazide
CID 9622548
N-(2-Methoxy-phenyl)-3-[(pyridine-2-carbonyl)-hydrazono]-butyramide
CID 9592392
3-methoxy-N-(pyridin-3-yl)benzamide
CID 777049
N'-(2-methoxybenzylidene)isonicotinohydrazide
CID 9568164

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide (CID 5341542) is N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide is COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccncc2)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide?
The InChIKey is JOBNPYGSYSOBAN-ODYMTFIRSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-30-20-9-7-17(8-10-20)15-21(26-22(28)19-5-3-2-4-6-19)23(29)27-25-16-18-11-13-24-14-12-18/h2-16H,1H3,(H,26,28)(H,27,29)/b21-15-,25-16+.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide?
N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide has a molecular weight of 400.44 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]prop-1-en-2-yl]benzamide is sourced from PubChem (CID 5341542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).