N-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide

C16H15FN4O — CID 142372331

IUPACN-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide
SMILESNC(/C=C\Nc1cccnc1)=N\C(=O)Cc1ccccc1F
InChIInChI=1S/C16H15FN4O/c17-14-6-2-1-4-12(14)10-16(22)21-15(18)7-9-20-13-5-3-8-19-11-13/h1-9,11,20H,10H2,(H2,18,21,22)/b9-7-
InChIKeyOFDIXSMNWNUQNM-CLFYSBASSA-N
MW298.32 g/mol
LogP2.27
Rot. Bonds5

About N-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide

N-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide (PubChem CID 142372331) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide
PubChem CID142372331
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC NameN-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide
SMILESNC(/C=C\Nc1cccnc1)=N\C(=O)Cc1ccccc1F
InChIInChI=1S/C16H15FN4O/c17-14-6-2-1-4-12(14)10-16(22)21-15(18)7-9-20-13-5-3-8-19-11-13/h1-9,11,20H,10H2,(H2,18,21,22)/b9-7-
InChIKeyOFDIXSMNWNUQNM-CLFYSBASSA-N
XLogP2.27
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-amino-3-[(5-fluoro-3-pyridinyl)amino]prop-2-enylidene]-2-(2-fluorophenyl)acetamide
CID 142372360
2-(2-fluorophenyl)-N-pyridin-3-ylacetamide
CID 4195275
N-[(Z)-1-amino-3-(pyrimidin-5-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 142372376
N-[(Z)-1-amino-3-[(5-fluoro-6-methoxy-3-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134596949
N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide
CID 134596290
N-[(Z)-1-amino-3-[(2-ethoxy-4-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 142372160
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
N-[(Z)-1-amino-3-[(5-chloro-2-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 137282358
1-(2-fluorophenyl)-3-[methyl(pyridin-3-ylmethyl)amino]propan-2-one
CID 62052978
2-(2,4-difluorophenyl)-N-pyridin-3-ylacetamide
CID 110488862
N-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925705
(Z)-3-anilinoprop-2-enamide
CID 143937122

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide (CID 142372331) is N-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide is NC(/C=C\Nc1cccnc1)=N\C(=O)Cc1ccccc1F.
What is the InChIKey of N-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide?
The InChIKey is OFDIXSMNWNUQNM-CLFYSBASSA-N. The full InChI is InChI=1S/C16H15FN4O/c17-14-6-2-1-4-12(14)10-16(22)21-15(18)7-9-20-13-5-3-8-19-11-13/h1-9,11,20H,10H2,(H2,18,21,22)/b9-7-.
What are the key properties of N-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide?
N-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide has a molecular weight of 298.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 142372331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).