N-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-N-(3-hydroxypropyl)acetamide

C20H23F3N2O3 — CID 167283367

IUPACN-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-N-(3-hydroxypropyl)acetamide
SMILESCC(=O)N(CCCO)Cc1ccc(-c2nc(C(F)(F)F)cc(C)c2CO)cc1
InChIInChI=1S/C20H23F3N2O3/c1-13-10-18(20(21,22)23)24-19(17(13)12-27)16-6-4-15(5-7-16)11-25(14(2)28)8-3-9-26/h4-7,10,26-27H,3,8-9,11-12H2,1-2H3
InChIKeyRTECBVBAPHSARY-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.30
Rot. Bonds7

About N-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-N-(3-hydroxypropyl)acetamide

N-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-N-(3-hydroxypropyl)acetamide (PubChem CID 167283367) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound NameN-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-N-(3-hydroxypropyl)acetamide
PubChem CID167283367
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC NameN-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-N-(3-hydroxypropyl)acetamide
SMILESCC(=O)N(CCCO)Cc1ccc(-c2nc(C(F)(F)F)cc(C)c2CO)cc1
InChIInChI=1S/C20H23F3N2O3/c1-13-10-18(20(21,22)23)24-19(17(13)12-27)16-6-4-15(5-7-16)11-25(14(2)28)8-3-9-26/h4-7,10,26-27H,3,8-9,11-12H2,1-2H3
InChIKeyRTECBVBAPHSARY-UHFFFAOYSA-N
XLogP3.30
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-N-(3-hydroxypropyl)acetamide?
The IUPAC name of N-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-N-(3-hydroxypropyl)acetamide (CID 167283367) is N-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for N-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for N-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-N-(3-hydroxypropyl)acetamide is CC(=O)N(CCCO)Cc1ccc(-c2nc(C(F)(F)F)cc(C)c2CO)cc1.
What is the InChIKey of N-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-N-(3-hydroxypropyl)acetamide?
The InChIKey is RTECBVBAPHSARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c1-13-10-18(20(21,22)23)24-19(17(13)12-27)16-6-4-15(5-7-16)11-25(14(2)28)8-3-9-26/h4-7,10,26-27H,3,8-9,11-12H2,1-2H3.
What are the key properties of N-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-N-(3-hydroxypropyl)acetamide?
N-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-N-(3-hydroxypropyl)acetamide has a molecular weight of 396.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(hydroxymethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 167283367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).