5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C14H16ClF3N2O3 — CID 51116396

IUPAC5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCCC1CCCO1)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H16ClF3N2O3/c15-11-6-9(7-20-13(11)23-8-14(16,17)18)12(21)19-4-3-10-2-1-5-22-10/h6-7,10H,1-5,8H2,(H,19,21)
InChIKeyGSKBHFASCDWDBE-UHFFFAOYSA-N
MW352.74 g/mol
LogP2.97
Rot. Bonds6

About 5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 51116396) has the molecular formula C14H16ClF3N2O3 and a molecular weight of 352.74 g/mol. Its IUPAC name is 5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID51116396
Molecular FormulaC14H16ClF3N2O3
Molecular Weight352.74 g/mol
Exact Mass352.08
IUPAC Name5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCCC1CCCO1)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H16ClF3N2O3/c15-11-6-9(7-20-13(11)23-8-14(16,17)18)12(21)19-4-3-10-2-1-5-22-10/h6-7,10H,1-5,8H2,(H,19,21)
InChIKeyGSKBHFASCDWDBE-UHFFFAOYSA-N
XLogP2.97
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.74
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 103993210
5-chloro-6-(ethylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 106000787
5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51953201
5-chloro-N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51953202
3-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 66482577
5-chloro-N-[(2-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55739738
5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55879759
2-amino-6-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 55042052
5-chloro-N-(2,6-difluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55752771
3-bromo-5-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 113286146
5-chloro-N-(3,5-difluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55741055
N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55631834

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 51116396) is 5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCCC1CCCO1)c1cnc(OCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is GSKBHFASCDWDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O3/c15-11-6-9(7-20-13(11)23-8-14(16,17)18)12(21)19-4-3-10-2-1-5-22-10/h6-7,10H,1-5,8H2,(H,19,21).
What are the key properties of 5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 352.74 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 51116396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).