2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide

C16H14FN3O2 — CID 109078904

IUPAC2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1ccnc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H14FN3O2/c1-2-8-19-15(21)11-7-9-18-14(10-11)16(22)20-13-6-4-3-5-12(13)17/h2-7,9-10H,1,8H2,(H,19,21)(H,20,22)
InChIKeyDIMHGJLVNWXGSP-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.39
Rot. Bonds5

About 2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide

2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide (PubChem CID 109078904) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
PubChem CID109078904
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1ccnc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C16H14FN3O2/c1-2-8-19-15(21)11-7-9-18-14(10-11)16(22)20-13-6-4-3-5-12(13)17/h2-7,9-10H,1,8H2,(H,19,21)(H,20,22)
InChIKeyDIMHGJLVNWXGSP-UHFFFAOYSA-N
XLogP2.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.39
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

2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078911
2-N-(2-chlorophenyl)-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092591
2-N-(2-fluorophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085559
4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079091
2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078888
2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078831
2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109084078
4-N-tert-butyl-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109089156
4-N-(4-acetylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092659
2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109079155
4-N-(2-ethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092650
2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078863

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide (CID 109078904) is 2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide is C=CCNC(=O)c1ccnc(C(=O)Nc2ccccc2F)c1.
What is the InChIKey of 2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
The InChIKey is DIMHGJLVNWXGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-2-8-19-15(21)11-7-9-18-14(10-11)16(22)20-13-6-4-3-5-12(13)17/h2-7,9-10H,1,8H2,(H,19,21)(H,20,22).
What are the key properties of 2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide?
2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide has a molecular weight of 299.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).