N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide

C23H19N5O4 — CID 5336007

IUPACN-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
SMILESC/C(=N/NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C23H19N5O4/c1-16(20-9-5-6-14-24-20)26-27-23(30)21(25-22(29)18-7-3-2-4-8-18)15-17-10-12-19(13-11-17)28(31)32/h2-15H,1H3,(H,25,29)(H,27,30)/b21-15-,26-16-
InChIKeyXDTQBIRDEBDPMT-IKKSTMCNSA-N
MW429.44 g/mol
LogP3.30
Rot. Bonds7

About N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide

N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide (PubChem CID 5336007) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
PubChem CID5336007
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC NameN-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide
SMILESC/C(=N/NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C23H19N5O4/c1-16(20-9-5-6-14-24-20)26-27-23(30)21(25-22(29)18-7-3-2-4-8-18)15-17-10-12-19(13-11-17)28(31)32/h2-15H,1H3,(H,25,29)(H,27,30)/b21-15-,26-16-
InChIKeyXDTQBIRDEBDPMT-IKKSTMCNSA-N
XLogP3.30
TPSA126.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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

N-[(Z)-3-[(2Z)-2-[1-(5-bromothiophen-2-yl)ethylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 45037766
N-[(Z)-1-[4-(dimethylamino)phenyl]-3-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 43907085
3,5-dinitro-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 40532157
3-nitro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 872063
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5334715
N-[(Z)-3-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 26368034
N-[(E)-3-[2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 137207080
N-[(Z)-3-[2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 137207079
N-[3-[2-[1-(2,4-dihydroxy-5-nitrophenyl)ethylidene]hydrazinyl]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5000840
N-[(Z)-3-[2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 137195520
N-[3-[2-[(5-bromofuran-2-yl)methylidene]hydrazinyl]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2858424

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide (CID 5336007) is N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide is C/C(=N/NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1)c1ccccn1.
What is the InChIKey of N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide?
The InChIKey is XDTQBIRDEBDPMT-IKKSTMCNSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-16(20-9-5-6-14-24-20)26-27-23(30)21(25-22(29)18-7-3-2-4-8-18)15-17-10-12-19(13-11-17)28(31)32/h2-15H,1H3,(H,25,29)(H,27,30)/b21-15-,26-16-.
What are the key properties of N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide?
N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide has a molecular weight of 429.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-nitrophenyl)-3-oxo-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]prop-1-en-2-yl]benzamide is sourced from PubChem (CID 5336007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).