N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

C21H26F3N3O2 — CID 168923909

IUPACN-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCCN(CC(O)c1cnccc1C(C)C)C(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H26F3N3O2/c1-4-9-27(13-18(28)17-12-25-8-7-16(17)14(2)3)20(29)10-15-5-6-19(26-11-15)21(22,23)24/h5-8,11-12,14,18,28H,4,9-10,13H2,1-3H3
InChIKeyDWJJFAUUNASBLS-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.13
Rot. Bonds8

About N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide

N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 168923909) has the molecular formula C21H26F3N3O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID168923909
Molecular FormulaC21H26F3N3O2
Molecular Weight409.45 g/mol
Exact Mass409.20
IUPAC NameN-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCCCN(CC(O)c1cnccc1C(C)C)C(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C21H26F3N3O2/c1-4-9-27(13-18(28)17-12-25-8-7-16(17)14(2)3)20(29)10-15-5-6-19(26-11-15)21(22,23)24/h5-8,11-12,14,18,28H,4,9-10,13H2,1-3H3
InChIKeyDWJJFAUUNASBLS-UHFFFAOYSA-N
XLogP4.13
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide with MolForge

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Related Compounds

N-(2-hydroxy-2-pyridazin-3-ylethyl)-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379775
tert-butyl N-[2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]ethyl]carbamate
CID 162379714
N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 168923951
N-(2-hydroxy-2-pyridin-3-ylethyl)-2-[2-(1-methylcyclopropyl)pyrimidin-5-yl]-N-propylacetamide
CID 168923813
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379778
2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 51695709
5-propyl-2-(trifluoromethyl)pyridine
CID 23544356
1-[(2R,4R)-2-[hydroxy-(4-methoxy-3-pyridinyl)methyl]-4-methylpyrrolidin-1-yl]-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 178103082
(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 122703513
2-[4-(aminomethyl)phenyl]-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 63589444
methyl (3S)-3-[[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]butanoate
CID 166258109
5-(fluoromethyl)-2-(trifluoromethyl)pyridine
CID 177038549

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide (CID 168923909) is N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is CCCN(CC(O)c1cnccc1C(C)C)C(=O)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is DWJJFAUUNASBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O2/c1-4-9-27(13-18(28)17-12-25-8-7-16(17)14(2)3)20(29)10-15-5-6-19(26-11-15)21(22,23)24/h5-8,11-12,14,18,28H,4,9-10,13H2,1-3H3.
What are the key properties of N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide?
N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 409.45 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-propyl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 168923909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).