N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide

C13H13FN6O — CID 134596290

IUPACN-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide
SMILESNC(/C=C\Nc1ccnc(F)c1)=N\C(=O)Cn1cccn1
InChIInChI=1S/C13H13FN6O/c14-11-8-10(2-5-17-11)16-6-3-12(15)19-13(21)9-20-7-1-4-18-20/h1-8H,9H2,(H,16,17)(H2,15,19,21)/b6-3-
InChIKeyZEJKUEHCWSCSOB-UTCJRWHESA-N
MW288.29 g/mol
LogP0.93
Rot. Bonds5

About N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide

N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide (PubChem CID 134596290) has the molecular formula C13H13FN6O and a molecular weight of 288.29 g/mol. Its IUPAC name is N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide
PubChem CID134596290
Molecular FormulaC13H13FN6O
Molecular Weight288.29 g/mol
Exact Mass288.11
IUPAC NameN-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide
SMILESNC(/C=C\Nc1ccnc(F)c1)=N\C(=O)Cn1cccn1
InChIInChI=1S/C13H13FN6O/c14-11-8-10(2-5-17-11)16-6-3-12(15)19-13(21)9-20-7-1-4-18-20/h1-8H,9H2,(H,16,17)(H2,15,19,21)/b6-3-
InChIKeyZEJKUEHCWSCSOB-UTCJRWHESA-N
XLogP0.93
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-1-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 142372068
N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-4-phenyloxane-4-carboxamide
CID 134596314
N-[(Z)-1-amino-3-[(2-ethoxy-4-pyridinyl)amino]prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 142372160
N-[(Z)-1-amino-3-(pyridin-3-ylamino)prop-2-enylidene]-2-(2-fluorophenyl)acetamide
CID 142372331
N-[(Z)-1-amino-3-anilinoprop-2-enylidene]-2-(1-methylpyrrol-2-yl)acetamide;molecular hydrogen
CID 142372327
N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
CID 39724155
N'-(2-fluoro-4-pyridinyl)propanehydrazide
CID 130685681
N-[(Z)-1-amino-3-(pyridin-4-ylamino)prop-2-enylidene]-2,2-difluorocyclopropane-1-carboxamide
CID 142372088
N-(1-ethylpyrazol-3-yl)-2-fluoropyridin-4-amine
CID 130495996
N-[(Z)-1-amino-3-(3,5-difluoroanilino)prop-2-enylidene]-1-(3-fluoro-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 142372099
N-(3-amino-4-fluorophenyl)-4-pyrazol-1-ylbutanamide
CID 16790819
N-[(Z)-1-amino-3-(pyrimidin-4-ylamino)prop-2-enylidene]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 137282308

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide (CID 134596290) is N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide is NC(/C=C\Nc1ccnc(F)c1)=N\C(=O)Cn1cccn1.
What is the InChIKey of N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide?
The InChIKey is ZEJKUEHCWSCSOB-UTCJRWHESA-N. The full InChI is InChI=1S/C13H13FN6O/c14-11-8-10(2-5-17-11)16-6-3-12(15)19-13(21)9-20-7-1-4-18-20/h1-8H,9H2,(H,16,17)(H2,15,19,21)/b6-3-.
What are the key properties of N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide?
N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide has a molecular weight of 288.29 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-3-[(2-fluoro-4-pyridinyl)amino]prop-2-enylidene]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 134596290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).