N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide

C17H18F2N2O3 — CID 111335304

IUPACN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCC(C)(O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C17H18F2N2O3/c1-3-24-15-7-4-11(9-20-15)16(22)21-10-17(2,23)13-6-5-12(18)8-14(13)19/h4-9,23H,3,10H2,1-2H3,(H,21,22)
InChIKeyUETZZJZZHWQENM-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.40
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide (PubChem CID 111335304) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide
PubChem CID111335304
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCC(C)(O)c2ccc(F)cc2F)cn1
InChIInChI=1S/C17H18F2N2O3/c1-3-24-15-7-4-11(9-20-15)16(22)21-10-17(2,23)13-6-5-12(18)8-14(13)19/h4-9,23H,3,10H2,1-2H3,(H,21,22)
InChIKeyUETZZJZZHWQENM-UHFFFAOYSA-N
XLogP2.40
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]pyrazole-4-carboxamide
CID 95627810
4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide
CID 96549083
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-hydroxy-4-methylbenzamide
CID 110014829
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide
CID 111335508
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide
CID 95320611
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide
CID 111335295
N-tert-butyl-6-ethoxypyridine-3-carboxamide
CID 47244667
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
CID 95627816
6-ethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 87010730
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-6-ethoxypyridine-3-carboxamide
CID 87041831
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide (CID 111335304) is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)NCC(C)(O)c2ccc(F)cc2F)cn1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide?
The InChIKey is UETZZJZZHWQENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-3-24-15-7-4-11(9-20-15)16(22)21-10-17(2,23)13-6-5-12(18)8-14(13)19/h4-9,23H,3,10H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide?
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 111335304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).