6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

C19H19F3N2O3 — CID 100731217

IUPAC6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(O[C@@H]2CCOC2)nc1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)15-4-1-13(2-5-15)7-9-23-18(25)14-3-6-17(24-11-14)27-16-8-10-26-12-16/h1-6,11,16H,7-10,12H2,(H,23,25)/t16-/m1/s1
InChIKeyLMZIVQCAXAGTQI-MRXNPFEDSA-N
MW380.37 g/mol
LogP3.24
Rot. Bonds6

About 6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 100731217) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID100731217
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(O[C@@H]2CCOC2)nc1
InChIInChI=1S/C19H19F3N2O3/c20-19(21,22)15-4-1-13(2-5-15)7-9-23-18(25)14-3-6-17(24-11-14)27-16-8-10-26-12-16/h1-6,11,16H,7-10,12H2,(H,23,25)/t16-/m1/s1
InChIKeyLMZIVQCAXAGTQI-MRXNPFEDSA-N
XLogP3.24
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 27006412
N-(3,3-diphenylpropyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730209
N-(furan-2-ylmethyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730113
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100731047
6-(oxolan-3-yloxy)-N-phenylpyridine-3-carboxamide
CID 91815160
N-(4-chlorophenyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730314
4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
5-(chloromethyl)-2-(oxolan-3-yloxy)pyridine
CID 63557481
[6-(oxolan-3-yloxy)-3-pyridinyl]methanamine
CID 63559217
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140
6-[[(2S)-oxolan-2-yl]methoxy]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 124725193

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (CID 100731217) is 6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(O[C@@H]2CCOC2)nc1.
What is the InChIKey of 6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is LMZIVQCAXAGTQI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c20-19(21,22)15-4-1-13(2-5-15)7-9-23-18(25)14-3-6-17(24-11-14)27-16-8-10-26-12-16/h1-6,11,16H,7-10,12H2,(H,23,25)/t16-/m1/s1.
What are the key properties of 6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 100731217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).