(2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine

C17H20FN3 — CID 143253059

IUPAC(2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine
SMILESC=C/C(C)=C(/C=C1N=C(C2=CCCN=C2F)C=C1C)NC
InChIInChI=1S/C17H20FN3/c1-5-11(2)14(19-4)10-15-12(3)9-16(21-15)13-7-6-8-20-17(13)18/h5,7,9-10,19H,1,6,8H2,2-4H3/b14-11-,15-10?
InChIKeyVBYYTBHHELDFSI-UMPYCQQCSA-N
MW285.37 g/mol
LogP3.65
Rot. Bonds4

About (2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine

(2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine (PubChem CID 143253059) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is (2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine
PubChem CID143253059
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC Name(2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine
SMILESC=C/C(C)=C(/C=C1N=C(C2=CCCN=C2F)C=C1C)NC
InChIInChI=1S/C17H20FN3/c1-5-11(2)14(19-4)10-15-12(3)9-16(21-15)13-7-6-8-20-17(13)18/h5,7,9-10,19H,1,6,8H2,2-4H3/b14-11-,15-10?
InChIKeyVBYYTBHHELDFSI-UMPYCQQCSA-N
XLogP3.65
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine?
The IUPAC name of (2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine (CID 143253059) is (2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine.
What is the SMILES notation for (2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine?
The canonical SMILES for (2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine is C=C/C(C)=C(/C=C1N=C(C2=CCCN=C2F)C=C1C)NC.
What is the InChIKey of (2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine?
The InChIKey is VBYYTBHHELDFSI-UMPYCQQCSA-N. The full InChI is InChI=1S/C17H20FN3/c1-5-11(2)14(19-4)10-15-12(3)9-16(21-15)13-7-6-8-20-17(13)18/h5,7,9-10,19H,1,6,8H2,2-4H3/b14-11-,15-10?.
What are the key properties of (2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine?
(2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine has a molecular weight of 285.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-[5-(6-fluoro-2,3-dihydropyridin-5-yl)-3-methylpyrrol-2-ylidene]-N,3-dimethylpenta-2,4-dien-2-amine is sourced from PubChem (CID 143253059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).