2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide

C15H15FN2O2 — CID 2080643

IUPAC2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C15H15FN2O2/c1-2-20-15-12(7-5-9-17-15)14(19)18-10-11-6-3-4-8-13(11)16/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyIUIRAPKKVSJTPM-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.55
Rot. Bonds5

About 2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide

2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 2080643) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID2080643
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C15H15FN2O2/c1-2-20-15-12(7-5-9-17-15)14(19)18-10-11-6-3-4-8-13(11)16/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyIUIRAPKKVSJTPM-UHFFFAOYSA-N
XLogP2.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide (CID 2080643) is 2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)NCc1ccccc1F.
What is the InChIKey of 2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is IUIRAPKKVSJTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-2-20-15-12(7-5-9-17-15)14(19)18-10-11-6-3-4-8-13(11)16/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide?
2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 2080643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).