3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide

C19H23FN2O3 — CID 110010112

IUPAC3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide
SMILESCC(C)(C)Oc1ccc(CNC(=O)CC(O)c2cccc(F)c2)cn1
InChIInChI=1S/C19H23FN2O3/c1-19(2,3)25-18-8-7-13(12-22-18)11-21-17(24)10-16(23)14-5-4-6-15(20)9-14/h4-9,12,16,23H,10-11H2,1-3H3,(H,21,24)
InChIKeyHWEQUBAUIWCIML-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.14
Rot. Bonds6

About 3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide

3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide (PubChem CID 110010112) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide
PubChem CID110010112
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide
SMILESCC(C)(C)Oc1ccc(CNC(=O)CC(O)c2cccc(F)c2)cn1
InChIInChI=1S/C19H23FN2O3/c1-19(2,3)25-18-8-7-13(12-22-18)11-21-17(24)10-16(23)14-5-4-6-15(20)9-14/h4-9,12,16,23H,10-11H2,1-3H3,(H,21,24)
InChIKeyHWEQUBAUIWCIML-UHFFFAOYSA-N
XLogP3.14
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide with MolForge

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Related Compounds

3-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119870364
2-(1-hydroxycyclohexyl)-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]acetamide
CID 110010126
[3-[1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylamino]ethyl]phenyl]methanol
CID 110011659
N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 86783842
1-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)urea
CID 75517689
3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide
CID 166331433
2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid
CID 167873816
4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119870371
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56545552
4-[4-[[3-(3-fluorophenyl)butanoylamino]methyl]phenoxy]butanoic acid
CID 119247039
(2S)-2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 119870375
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide (CID 110010112) is 3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide is CC(C)(C)Oc1ccc(CNC(=O)CC(O)c2cccc(F)c2)cn1.
What is the InChIKey of 3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide?
The InChIKey is HWEQUBAUIWCIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-19(2,3)25-18-8-7-13(12-22-18)11-21-17(24)10-16(23)14-5-4-6-15(20)9-14/h4-9,12,16,23H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide?
3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide has a molecular weight of 346.40 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3-hydroxy-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propanamide is sourced from PubChem (CID 110010112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).