5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide

C18H21FN2O2 — CID 90250251

IUPAC5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCc1cc(F)cc(OCc2ccc(C(=O)NCC(C)C)nc2)c1
InChIInChI=1S/C18H21FN2O2/c1-12(2)9-21-18(22)17-5-4-14(10-20-17)11-23-16-7-13(3)6-15(19)8-16/h4-8,10,12H,9,11H2,1-3H3,(H,21,22)
InChIKeyZJAOZYRYDZQORI-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.49
Rot. Bonds6

About 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide

5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 90250251) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID90250251
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCc1cc(F)cc(OCc2ccc(C(=O)NCC(C)C)nc2)c1
InChIInChI=1S/C18H21FN2O2/c1-12(2)9-21-18(22)17-5-4-14(10-20-17)11-23-16-7-13(3)6-15(19)8-16/h4-8,10,12H,9,11H2,1-3H3,(H,21,22)
InChIKeyZJAOZYRYDZQORI-UHFFFAOYSA-N
XLogP3.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide (CID 90250251) is 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide is Cc1cc(F)cc(OCc2ccc(C(=O)NCC(C)C)nc2)c1.
What is the InChIKey of 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is ZJAOZYRYDZQORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12(2)9-21-18(22)17-5-4-14(10-20-17)11-23-16-7-13(3)6-15(19)8-16/h4-8,10,12H,9,11H2,1-3H3,(H,21,22).
What are the key properties of 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide?
5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 90250251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).