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

C22H21FN2O3 — CID 22612370

IUPAC2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2cccc(F)c2)cc1
InChIInChI=1S/C22H21FN2O3/c1-22(2,27)16-10-8-15(9-11-16)14-25-20(26)19-7-4-12-24-21(19)28-18-6-3-5-17(23)13-18/h3-13,27H,14H2,1-2H3,(H,25,26)
InChIKeyNSOZETMBBZHUEU-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.17
Rot. Bonds6

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

2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 22612370) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID22612370
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2cccc(F)c2)cc1
InChIInChI=1S/C22H21FN2O3/c1-22(2,27)16-10-8-15(9-11-16)14-25-20(26)19-7-4-12-24-21(19)28-18-6-3-5-17(23)13-18/h3-13,27H,14H2,1-2H3,(H,25,26)
InChIKeyNSOZETMBBZHUEU-UHFFFAOYSA-N
XLogP4.17
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612119
methyl 2-[4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
CID 10159242
N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxamide
CID 10137595
4-[[[5-fluoro-2-(3-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 69051381
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylsulfonylbenzamide
CID 60553727
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296
N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-(2-methylbenzotriazol-5-yl)oxypyridine-3-carboxamide
CID 10180834
(2R)-2-[4-[[[2-(3-methoxyphenoxy)pyridine-3-carbonyl]amino]methyl]phenoxy]propanoic acid
CID 23529310
2-(2-bromo-4-fluorophenoxy)-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55789405
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
CID 87932328
CID 87932328
2-(2,1,3-benzoxadiazol-5-yloxy)-N-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 69207331

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide (CID 22612370) is 2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide is CC(C)(O)c1ccc(CNC(=O)c2cccnc2Oc2cccc(F)c2)cc1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is NSOZETMBBZHUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-22(2,27)16-10-8-15(9-11-16)14-25-20(26)19-7-4-12-24-21(19)28-18-6-3-5-17(23)13-18/h3-13,27H,14H2,1-2H3,(H,25,26).
What are the key properties of 2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide?
2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 380.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 22612370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).