N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C19H20F3N3O2 — CID 67238864

IUPACN-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)12-27-17-8-5-15(11-24-17)18(26)25-16-6-3-13(4-7-16)14-2-1-9-23-10-14/h3-8,11,14,23H,1-2,9-10,12H2,(H,25,26)/t14-/m1/s1
InChIKeyDOTQGMNOLNTXIP-CQSZACIVSA-N
MW379.38 g/mol
LogP3.74
Rot. Bonds5

About N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 67238864) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID67238864
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC NameN-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)12-27-17-8-5-15(11-24-17)18(26)25-16-6-3-13(4-7-16)14-2-1-9-23-10-14/h3-8,11,14,23H,1-2,9-10,12H2,(H,25,26)/t14-/m1/s1
InChIKeyDOTQGMNOLNTXIP-CQSZACIVSA-N
XLogP3.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 67238864) is N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(Nc1ccc([C@@H]2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is DOTQGMNOLNTXIP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)12-27-17-8-5-15(11-24-17)18(26)25-16-6-3-13(4-7-16)14-2-1-9-23-10-14/h3-8,11,14,23H,1-2,9-10,12H2,(H,25,26)/t14-/m1/s1.
What are the key properties of N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3S)-piperidin-3-yl]phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 67238864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).