N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide

C16H17FN2O3 — CID 111477320

IUPACN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC(O)COc2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O3/c1-11-6-12(8-18-7-11)16(21)19-9-14(20)10-22-15-4-2-13(17)3-5-15/h2-8,14,20H,9-10H2,1H3,(H,19,21)
InChIKeyURDOAGVZMVOKGM-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.70
Rot. Bonds6

About N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide

N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide (PubChem CID 111477320) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide
PubChem CID111477320
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC(O)COc2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN2O3/c1-11-6-12(8-18-7-11)16(21)19-9-14(20)10-22-15-4-2-13(17)3-5-15/h2-8,14,20H,9-10H2,1H3,(H,19,21)
InChIKeyURDOAGVZMVOKGM-UHFFFAOYSA-N
XLogP1.70
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide
CID 111110961
N-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methyl-4-nitrobenzamide
CID 95233211
3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide
CID 95180097
N-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-4-methyl-3-nitrobenzamide
CID 94819249
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2,6-dimethylpyridine-3-carboxamide
CID 111110985
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide
CID 111110998
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477233
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]quinoline-6-carboxamide
CID 110911243
2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide
CID 110907802
5-cyano-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
CID 56784686
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide
CID 111478300

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide (CID 111477320) is N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)NCC(O)COc2ccc(F)cc2)c1.
What is the InChIKey of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide?
The InChIKey is URDOAGVZMVOKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-11-6-12(8-18-7-11)16(21)19-9-14(20)10-22-15-4-2-13(17)3-5-15/h2-8,14,20H,9-10H2,1H3,(H,19,21).
What are the key properties of N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide?
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 111477320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).