N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide

C11H13F3N2O3 — CID 170830460

IUPACN-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O3/c1-6(17)16-5-9(18)10(19)7-2-8(4-15-3-7)11(12,13)14/h2-4,9-10,18-19H,5H2,1H3,(H,16,17)
InChIKeyLQQZDUFJMPILND-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.63
Rot. Bonds4

About N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide

N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide (PubChem CID 170830460) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide
PubChem CID170830460
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC NameN-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O3/c1-6(17)16-5-9(18)10(19)7-2-8(4-15-3-7)11(12,13)14/h2-4,9-10,18-19H,5H2,1H3,(H,16,17)
InChIKeyLQQZDUFJMPILND-UHFFFAOYSA-N
XLogP0.63
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170831115
N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
benzyl N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]carbamate
CID 171856324
methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate
CID 170830510
N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide
CID 170830717
N-[2,3-dihydroxy-3-[3-nitro-5-(trifluoromethyl)phenyl]propyl]acetamide
CID 170831023
N-[3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830904
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830578
N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide
CID 170831077
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]propyl]acetamide
CID 170830021
N-[3-(5-amino-6-chloro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829700
N-[2,3-dihydroxy-3-[2-methoxy-5-(trifluoromethyl)phenyl]propyl]acetamide
CID 170831338

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide (CID 170830460) is N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide is CC(=O)NCC(O)C(O)c1cncc(C(F)(F)F)c1.
What is the InChIKey of N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide?
The InChIKey is LQQZDUFJMPILND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-6(17)16-5-9(18)10(19)7-2-8(4-15-3-7)11(12,13)14/h2-4,9-10,18-19H,5H2,1H3,(H,16,17).
What are the key properties of N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide?
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide has a molecular weight of 278.23 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide is sourced from PubChem (CID 170830460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).