5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-3-N,3-N-bis(prop-2-enyl)pyridine-3,5-dicarboxamide

C26H30FN3O4 — CID 45198121

IUPAC5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-3-N,3-N-bis(prop-2-enyl)pyridine-3,5-dicarboxamide
SMILESC=CCN(CC=C)C(=O)c1cn(CC2CCCO2)cc(C(=O)NCCc2cccc(F)c2)c1=O
InChIInChI=1S/C26H30FN3O4/c1-3-12-30(13-4-2)26(33)23-18-29(16-21-9-6-14-34-21)17-22(24(23)31)25(32)28-11-10-19-7-5-8-20(27)15-19/h3-5,7-8,15,17-18,21H,1-2,6,9-14,16H2,(H,28,32)
InChIKeyZFGKIWVROYOLIV-UHFFFAOYSA-N
MW467.54 g/mol
LogP2.95
Rot. Bonds11

About 5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-3-N,3-N-bis(prop-2-enyl)pyridine-3,5-dicarboxamide

5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-3-N,3-N-bis(prop-2-enyl)pyridine-3,5-dicarboxamide (PubChem CID 45198121) has the molecular formula C26H30FN3O4 and a molecular weight of 467.54 g/mol. Its IUPAC name is 5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-3-N,3-N-bis(prop-2-enyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-3-N,3-N-bis(prop-2-enyl)pyridine-3,5-dicarboxamide
PubChem CID45198121
Molecular FormulaC26H30FN3O4
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC Name5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-3-N,3-N-bis(prop-2-enyl)pyridine-3,5-dicarboxamide
SMILESC=CCN(CC=C)C(=O)c1cn(CC2CCCO2)cc(C(=O)NCCc2cccc(F)c2)c1=O
InChIInChI=1S/C26H30FN3O4/c1-3-12-30(13-4-2)26(33)23-18-29(16-21-9-6-14-34-21)17-22(24(23)31)25(32)28-11-10-19-7-5-8-20(27)15-19/h3-5,7-8,15,17-18,21H,1-2,6,9-14,16H2,(H,28,32)
InChIKeyZFGKIWVROYOLIV-UHFFFAOYSA-N
XLogP2.95
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3-N-(2,2,2-trifluoroethyl)pyridine-3,5-dicarboxamide
CID 42499559
5-N-[2-(3-fluorophenyl)ethyl]-3-N-[(3-methylphenyl)methyl]-4-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3,5-dicarboxamide
CID 42544618
3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide
CID 45193580
N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 45225393
3-N-cyclooctyl-4-oxo-1-[[(2S)-oxolan-2-yl]methyl]-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 42467943
3-N-cyclooctyl-5-N-[(3-methylphenyl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45239019
3-N-benzyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-[[(2S)-oxolan-2-yl]methyl]pyridine-3,5-dicarboxamide
CID 26348037
3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45186510
3-N-cyclohexyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3,5-dicarboxamide
CID 42373319
3-N-cyclooctyl-5-N-(cyclopropylmethyl)-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45215556
3-N-cyclooctyl-4-oxo-1-[[(2S)-oxolan-2-yl]methyl]-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 42163361
3-fluoro-N-[[2-[(2-fluorophenyl)methylsulfonyl]-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N-prop-2-enylbenzamide
CID 42824472

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-3-N,3-N-bis(prop-2-enyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-3-N,3-N-bis(prop-2-enyl)pyridine-3,5-dicarboxamide (CID 45198121) is 5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-3-N,3-N-bis(prop-2-enyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-3-N,3-N-bis(prop-2-enyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-3-N,3-N-bis(prop-2-enyl)pyridine-3,5-dicarboxamide is C=CCN(CC=C)C(=O)c1cn(CC2CCCO2)cc(C(=O)NCCc2cccc(F)c2)c1=O.
What is the InChIKey of 5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-3-N,3-N-bis(prop-2-enyl)pyridine-3,5-dicarboxamide?
The InChIKey is ZFGKIWVROYOLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O4/c1-3-12-30(13-4-2)26(33)23-18-29(16-21-9-6-14-34-21)17-22(24(23)31)25(32)28-11-10-19-7-5-8-20(27)15-19/h3-5,7-8,15,17-18,21H,1-2,6,9-14,16H2,(H,28,32).
What are the key properties of 5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-3-N,3-N-bis(prop-2-enyl)pyridine-3,5-dicarboxamide?
5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-3-N,3-N-bis(prop-2-enyl)pyridine-3,5-dicarboxamide has a molecular weight of 467.54 g/mol, XLogP of 2.95, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-3-N,3-N-bis(prop-2-enyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 45198121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).