2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide

C22H20F2N2O3 — CID 22612119

IUPAC2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C22H20F2N2O3/c1-22(2,28)15-7-5-14(6-8-15)13-26-20(27)17-4-3-11-25-21(17)29-19-10-9-16(23)12-18(19)24/h3-12,28H,13H2,1-2H3,(H,26,27)
InChIKeyNPBNOUUFXBQNIB-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.31
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide

2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 22612119) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID22612119
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC Name2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2F)cc1
InChIInChI=1S/C22H20F2N2O3/c1-22(2,28)15-7-5-14(6-8-15)13-26-20(27)17-4-3-11-25-21(17)29-19-10-9-16(23)12-18(19)24/h3-12,28H,13H2,1-2H3,(H,26,27)
InChIKeyNPBNOUUFXBQNIB-UHFFFAOYSA-N
XLogP4.31
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612370
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenoxy)pyridine-3-carboxamide
CID 22612146
2-(2-bromo-4-fluorophenoxy)-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55789405
methyl 2-[4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
CID 10159242
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 42196758
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-methyl-2-(methylamino)propanamide
CID 56759707
CID 87932328
CID 87932328
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxyacetamide
CID 56751588
ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate
CID 69414854
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-hydroxypropanamide
CID 56738262
[2-(2,4-difluorophenoxy)-3-pyridinyl]methanol
CID 61256286

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide (CID 22612119) is 2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide is CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2F)cc1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is NPBNOUUFXBQNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c1-22(2,28)15-7-5-14(6-8-15)13-26-20(27)17-4-3-11-25-21(17)29-19-10-9-16(23)12-18(19)24/h3-12,28H,13H2,1-2H3,(H,26,27).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide?
2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 22612119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).