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

C19H23FN2O2 — CID 90250253

IUPAC5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide
SMILESCCC(C)CNC(=O)c1ccc(COc2cc(C)cc(F)c2)cn1
InChIInChI=1S/C19H23FN2O2/c1-4-13(2)10-22-19(23)18-6-5-15(11-21-18)12-24-17-8-14(3)7-16(20)9-17/h5-9,11,13H,4,10,12H2,1-3H3,(H,22,23)
InChIKeyKRRVKYOXUHUYQA-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.88
Rot. Bonds7

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

5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide (PubChem CID 90250253) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide
PubChem CID90250253
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide
SMILESCCC(C)CNC(=O)c1ccc(COc2cc(C)cc(F)c2)cn1
InChIInChI=1S/C19H23FN2O2/c1-4-13(2)10-22-19(23)18-6-5-15(11-21-18)12-24-17-8-14(3)7-16(20)9-17/h5-9,11,13H,4,10,12H2,1-3H3,(H,22,23)
InChIKeyKRRVKYOXUHUYQA-UHFFFAOYSA-N
XLogP3.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 90250251
5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide
CID 71499387
5-[(3-bromo-5-fluorophenoxy)methyl]-N-(2,2-dimethoxyethyl)pyridine-2-carboxamide
CID 71499388
5-(aminomethyl)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 63723883
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
N-(2,2-dimethoxyethyl)-5-[[3-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide
CID 71499321
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239
N-(2-bromo-3-ethylpentyl)-5-fluoropyridine-2-carboxamide
CID 106288255
5-(methylamino)-N-(2-methylbutyl)pyrazine-2-carboxamide
CID 107375458
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181046
N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 104643146
1-[5-[(3-ethylphenoxy)methyl]-2-pyridinyl]-6-methyloctan-1-one
CID 123488997

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide (CID 90250253) is 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide is CCC(C)CNC(=O)c1ccc(COc2cc(C)cc(F)c2)cn1.
What is the InChIKey of 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide?
The InChIKey is KRRVKYOXUHUYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-4-13(2)10-22-19(23)18-6-5-15(11-21-18)12-24-17-8-14(3)7-16(20)9-17/h5-9,11,13H,4,10,12H2,1-3H3,(H,22,23).
What are the key properties of 5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide?
5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide has a molecular weight of 330.40 g/mol, XLogP of 3.88, 7 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-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 90250253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).