4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide

C17H13ClF3N3O2 — CID 109079135

IUPAC4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccn1
InChIInChI=1S/C17H13ClF3N3O2/c1-2-6-23-16(26)14-8-10(5-7-22-14)15(25)24-13-9-11(17(19,20)21)3-4-12(13)18/h2-5,7-9H,1,6H2,(H,23,26)(H,24,25)
InChIKeyZIYAZTQVIISYDE-UHFFFAOYSA-N
MW383.76 g/mol
LogP3.92
Rot. Bonds5

About 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide

4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide (PubChem CID 109079135) has the molecular formula C17H13ClF3N3O2 and a molecular weight of 383.76 g/mol. Its IUPAC name is 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide
PubChem CID109079135
Molecular FormulaC17H13ClF3N3O2
Molecular Weight383.76 g/mol
Exact Mass383.06
IUPAC Name4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccn1
InChIInChI=1S/C17H13ClF3N3O2/c1-2-6-23-16(26)14-8-10(5-7-22-14)15(25)24-13-9-11(17(19,20)21)3-4-12(13)18/h2-5,7-9H,1,6H2,(H,23,26)(H,24,25)
InChIKeyZIYAZTQVIISYDE-UHFFFAOYSA-N
XLogP3.92
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.76
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 132587573
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpropanediamide
CID 108941307
2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078904
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(diethylamino)pyridine-4-carboxamide
CID 109174779
4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079081
2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078911
2-(butan-2-ylamino)-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109165946
4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079060
2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109079155
4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079091
4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079128
2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078888

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide (CID 109079135) is 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide is C=CCNC(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccn1.
What is the InChIKey of 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The InChIKey is ZIYAZTQVIISYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O2/c1-2-6-23-16(26)14-8-10(5-7-22-14)15(25)24-13-9-11(17(19,20)21)3-4-12(13)18/h2-5,7-9H,1,6H2,(H,23,26)(H,24,25).
What are the key properties of 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide has a molecular weight of 383.76 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).