N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]butanamide

C17H19FN2O2 — CID 54585738

IUPACN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]butanamide
SMILESCCCC(=O)NCc1cncc(-c2ccc(F)cc2OC)c1
InChIInChI=1S/C17H19FN2O2/c1-3-4-17(21)20-10-12-7-13(11-19-9-12)15-6-5-14(18)8-16(15)22-2/h5-9,11H,3-4,10H2,1-2H3,(H,20,21)
InChIKeyOXVKXTQHPIGIBM-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.31
Rot. Bonds6

About N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]butanamide

N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]butanamide (PubChem CID 54585738) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]butanamide
PubChem CID54585738
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]butanamide
SMILESCCCC(=O)NCc1cncc(-c2ccc(F)cc2OC)c1
InChIInChI=1S/C17H19FN2O2/c1-3-4-17(21)20-10-12-7-13(11-19-9-12)15-6-5-14(18)8-16(15)22-2/h5-9,11H,3-4,10H2,1-2H3,(H,20,21)
InChIKeyOXVKXTQHPIGIBM-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]butanamide?
The IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]butanamide (CID 54585738) is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]butanamide is CCCC(=O)NCc1cncc(-c2ccc(F)cc2OC)c1.
What is the InChIKey of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]butanamide?
The InChIKey is OXVKXTQHPIGIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-3-4-17(21)20-10-12-7-13(11-19-9-12)15-6-5-14(18)8-16(15)22-2/h5-9,11H,3-4,10H2,1-2H3,(H,20,21).
What are the key properties of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]butanamide?
N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]butanamide has a molecular weight of 302.35 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 54585738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).