2-cyano-N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]acetamide

C15H12FN3O2 — CID 122145020

IUPAC2-cyano-N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]acetamide
SMILESN#CCC(=O)NCc1cc(Oc2ccc(F)cc2)ccn1
InChIInChI=1S/C15H12FN3O2/c16-11-1-3-13(4-2-11)21-14-6-8-18-12(9-14)10-19-15(20)5-7-17/h1-4,6,8-9H,5,10H2,(H,19,20)
InChIKeyREPBLVOWQDZYRT-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.54
Rot. Bonds5

About 2-cyano-N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]acetamide

2-cyano-N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]acetamide (PubChem CID 122145020) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-cyano-N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]acetamide
PubChem CID122145020
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name2-cyano-N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]acetamide
SMILESN#CCC(=O)NCc1cc(Oc2ccc(F)cc2)ccn1
InChIInChI=1S/C15H12FN3O2/c16-11-1-3-13(4-2-11)21-14-6-8-18-12(9-14)10-19-15(20)5-7-17/h1-4,6,8-9H,5,10H2,(H,19,20)
InChIKeyREPBLVOWQDZYRT-UHFFFAOYSA-N
XLogP2.54
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]acetamide (CID 122145020) is 2-cyano-N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]acetamide is N#CCC(=O)NCc1cc(Oc2ccc(F)cc2)ccn1.
What is the InChIKey of 2-cyano-N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]acetamide?
The InChIKey is REPBLVOWQDZYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-11-1-3-13(4-2-11)21-14-6-8-18-12(9-14)10-19-15(20)5-7-17/h1-4,6,8-9H,5,10H2,(H,19,20).
What are the key properties of 2-cyano-N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]acetamide?
2-cyano-N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]acetamide has a molecular weight of 285.28 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 122145020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).