5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide

C15H14FN3O3 — CID 86859541

IUPAC5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCCOc2cccc(F)c2)cn1
InChIInChI=1S/C15H14FN3O3/c16-11-2-1-3-12(8-11)22-7-6-18-15(21)10-4-5-13(14(17)20)19-9-10/h1-5,8-9H,6-7H2,(H2,17,20)(H,18,21)
InChIKeyDUJRUBBDRRBYIC-UHFFFAOYSA-N
MW303.29 g/mol
LogP1.13
Rot. Bonds6

About 5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide

5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide (PubChem CID 86859541) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide
PubChem CID86859541
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCCOc2cccc(F)c2)cn1
InChIInChI=1S/C15H14FN3O3/c16-11-2-1-3-12(8-11)22-7-6-18-15(21)10-4-5-13(14(17)20)19-9-10/h1-5,8-9H,6-7H2,(H2,17,20)(H,18,21)
InChIKeyDUJRUBBDRRBYIC-UHFFFAOYSA-N
XLogP1.13
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
N-[2-(3-fluorophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099242
6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62072454
5-N-(3-fluorophenyl)pyridine-2,5-dicarboxamide
CID 47460385
N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide
CID 110481998
5-N-propylpyridine-2,5-dicarboxamide
CID 47460537
6-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 18148810
N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
5-N-[(2,4,6-trifluorophenyl)methyl]pyridine-2,5-dicarboxamide
CID 169100410
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
5-ethyl-N-[2-(3-fluorophenoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 86981435
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide (CID 86859541) is 5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide is NC(=O)c1ccc(C(=O)NCCOc2cccc(F)c2)cn1.
What is the InChIKey of 5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide?
The InChIKey is DUJRUBBDRRBYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-11-2-1-3-12(8-11)22-7-6-18-15(21)10-4-5-13(14(17)20)19-9-10/h1-5,8-9H,6-7H2,(H2,17,20)(H,18,21).
What are the key properties of 5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide?
5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide has a molecular weight of 303.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(3-fluorophenoxy)ethyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 86859541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).