N-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide

C21H17FN4O2 — CID 27876459

IUPACN-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide
SMILESO=C(N/N=C(\CNC(=O)c1ccccc1F)c1ccccc1)c1ccncc1
InChIInChI=1S/C21H17FN4O2/c22-18-9-5-4-8-17(18)21(28)24-14-19(15-6-2-1-3-7-15)25-26-20(27)16-10-12-23-13-11-16/h1-13H,14H2,(H,24,28)(H,26,27)/b25-19+
InChIKeyNQECFXJACZNBFS-NCELDCMTSA-N
MW376.39 g/mol
LogP2.78
Rot. Bonds6

About N-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide

N-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide (PubChem CID 27876459) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide
PubChem CID27876459
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide
SMILESO=C(N/N=C(\CNC(=O)c1ccccc1F)c1ccccc1)c1ccncc1
InChIInChI=1S/C21H17FN4O2/c22-18-9-5-4-8-17(18)21(28)24-14-19(15-6-2-1-3-7-15)25-26-20(27)16-10-12-23-13-11-16/h1-13H,14H2,(H,24,28)(H,26,27)/b25-19+
InChIKeyNQECFXJACZNBFS-NCELDCMTSA-N
XLogP2.78
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(1-phenylpropylideneamino)benzamide
CID 4162373
N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide
CID 91385749
N'-(2-fluorobenzoyl)pyridine-4-carbohydrazide
CID 959956
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
3-fluoro-N-phenacylpyridine-4-carboxamide
CID 64991811
2-fluoro-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4536302
N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide
CID 6236263
2-chloro-N-[(2E)-2-phenyl-2-[(2-phenylacetyl)hydrazinylidene]ethyl]benzamide
CID 27876476
N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide (CID 27876459) is N-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide is O=C(N/N=C(\CNC(=O)c1ccccc1F)c1ccccc1)c1ccncc1.
What is the InChIKey of N-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide?
The InChIKey is NQECFXJACZNBFS-NCELDCMTSA-N. The full InChI is InChI=1S/C21H17FN4O2/c22-18-9-5-4-8-17(18)21(28)24-14-19(15-6-2-1-3-7-15)25-26-20(27)16-10-12-23-13-11-16/h1-13H,14H2,(H,24,28)(H,26,27)/b25-19+.
What are the key properties of N-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide?
N-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-[(2-fluorobenzoyl)amino]-1-phenylethylidene]amino]pyridine-4-carboxamide is sourced from PubChem (CID 27876459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).