3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide

C26H34FN3O5 — CID 45193580

IUPAC3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide
SMILESCC(C)OCCCNC(=O)c1cn(CC2CCCO2)cc(C(=O)NCCc2cccc(F)c2)c1=O
InChIInChI=1S/C26H34FN3O5/c1-18(2)34-13-5-10-28-25(32)22-16-30(15-21-8-4-12-35-21)17-23(24(22)31)26(33)29-11-9-19-6-3-7-20(27)14-19/h3,6-7,14,16-18,21H,4-5,8-13,15H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyUFYRJEFTLDONLD-UHFFFAOYSA-N
MW487.57 g/mol
LogP2.68
Rot. Bonds12

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

3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide (PubChem CID 45193580) has the molecular formula C26H34FN3O5 and a molecular weight of 487.57 g/mol. Its IUPAC name is 3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide
PubChem CID45193580
Molecular FormulaC26H34FN3O5
Molecular Weight487.57 g/mol
Exact Mass487.25
IUPAC Name3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide
SMILESCC(C)OCCCNC(=O)c1cn(CC2CCCO2)cc(C(=O)NCCc2cccc(F)c2)c1=O
InChIInChI=1S/C26H34FN3O5/c1-18(2)34-13-5-10-28-25(32)22-16-30(15-21-8-4-12-35-21)17-23(24(22)31)26(33)29-11-9-19-6-3-7-20(27)14-19/h3,6-7,14,16-18,21H,4-5,8-13,15H2,1-2H3,(H,28,32)(H,29,33)
InChIKeyUFYRJEFTLDONLD-UHFFFAOYSA-N
XLogP2.68
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 45225393
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
3-N-cyclooctyl-5-N-(3-methoxypropyl)-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45219359
3-N-cyclooctyl-5-N-(3-ethoxypropyl)-4-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3,5-dicarboxamide
CID 42274204
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-cyclooctyl-5-N-(3-methylsulfanylpropyl)-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45191888
3-N-cyclooctyl-5-N-[(2-fluorophenyl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45186510
5-(azepane-1-carbonyl)-1-[(2R)-butan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide
CID 26344354
3-N-cyclooctyl-5-N-(cyclopropylmethyl)-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45215556

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide (CID 45193580) is 3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide is CC(C)OCCCNC(=O)c1cn(CC2CCCO2)cc(C(=O)NCCc2cccc(F)c2)c1=O.
What is the InChIKey of 3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide?
The InChIKey is UFYRJEFTLDONLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O5/c1-18(2)34-13-5-10-28-25(32)22-16-30(15-21-8-4-12-35-21)17-23(24(22)31)26(33)29-11-9-19-6-3-7-20(27)14-19/h3,6-7,14,16-18,21H,4-5,8-13,15H2,1-2H3,(H,28,32)(H,29,33).
What are the key properties of 3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide?
3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide has a molecular weight of 487.57 g/mol, XLogP of 2.68, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-N-(3-propan-2-yloxypropyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 45193580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).