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

C18H19FN2O2 — CID 54585737

IUPACN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclobutanecarboxamide
SMILESCOc1cc(F)ccc1-c1cncc(CNC(=O)C2CCC2)c1
InChIInChI=1S/C18H19FN2O2/c1-23-17-8-15(19)5-6-16(17)14-7-12(9-20-11-14)10-21-18(22)13-3-2-4-13/h5-9,11,13H,2-4,10H2,1H3,(H,21,22)
InChIKeyPZPUPNNUWKSLFK-UHFFFAOYSA-N
MW314.36 g/mol
LogP3.31
Rot. Bonds5

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

N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclobutanecarboxamide (PubChem CID 54585737) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclobutanecarboxamide
PubChem CID54585737
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclobutanecarboxamide
SMILESCOc1cc(F)ccc1-c1cncc(CNC(=O)C2CCC2)c1
InChIInChI=1S/C18H19FN2O2/c1-23-17-8-15(19)5-6-16(17)14-7-12(9-20-11-14)10-21-18(22)13-3-2-4-13/h5-9,11,13H,2-4,10H2,1H3,(H,21,22)
InChIKeyPZPUPNNUWKSLFK-UHFFFAOYSA-N
XLogP3.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
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]cyclobutanecarboxamide?
The IUPAC name of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclobutanecarboxamide (CID 54585737) is N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclobutanecarboxamide is COc1cc(F)ccc1-c1cncc(CNC(=O)C2CCC2)c1.
What is the InChIKey of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclobutanecarboxamide?
The InChIKey is PZPUPNNUWKSLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-23-17-8-15(19)5-6-16(17)14-7-12(9-20-11-14)10-21-18(22)13-3-2-4-13/h5-9,11,13H,2-4,10H2,1H3,(H,21,22).
What are the key properties of N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclobutanecarboxamide?
N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]cyclobutanecarboxamide has a molecular weight of 314.36 g/mol, XLogP of 3.31, 5 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]cyclobutanecarboxamide is sourced from PubChem (CID 54585737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).