2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide

C18H18FN3O2 — CID 109094041

IUPAC2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)NCCc2ccccc2F)n1
InChIInChI=1S/C18H18FN3O2/c1-2-11-20-17(23)15-8-5-9-16(22-15)18(24)21-12-10-13-6-3-4-7-14(13)19/h2-9H,1,10-12H2,(H,20,23)(H,21,24)
InChIKeyODMKYGXFVWTVIB-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.11
Rot. Bonds7

About 2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide

2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide (PubChem CID 109094041) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide
PubChem CID109094041
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)NCCc2ccccc2F)n1
InChIInChI=1S/C18H18FN3O2/c1-2-11-20-17(23)15-8-5-9-16(22-15)18(24)21-12-10-13-6-3-4-7-14(13)19/h2-9H,1,10-12H2,(H,20,23)(H,21,24)
InChIKeyODMKYGXFVWTVIB-UHFFFAOYSA-N
XLogP2.11
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.11
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

N-[2-(2-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110225
N-[2-(2-fluorophenyl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62237279
2-N-[2-(2-fluorophenyl)ethyl]-6-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097096
6-N-(3,4-difluorophenyl)-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094193
3-N-[2-(2-fluorophenyl)ethyl]-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073067
6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109098571
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 110693729
6-N-cyclohexyl-2-N-prop-2-enylpyridine-2,6-dicarboxamide
CID 109094007
6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339637
6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
2-fluoro-N-prop-2-enylbenzamide
CID 4125319

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide (CID 109094041) is 2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide is C=CCNC(=O)c1cccc(C(=O)NCCc2ccccc2F)n1.
What is the InChIKey of 2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide?
The InChIKey is ODMKYGXFVWTVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-2-11-20-17(23)15-8-5-9-16(22-15)18(24)21-12-10-13-6-3-4-7-14(13)19/h2-9H,1,10-12H2,(H,20,23)(H,21,24).
What are the key properties of 2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide?
2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2-fluorophenyl)ethyl]-6-N-prop-2-enylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).