6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C23H21F3N4O3 — CID 118195096

IUPAC6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCC[C@H](O)C2)c(-c2cccnc2)c1
InChIInChI=1S/C23H21F3N4O3/c24-23(25,26)33-19-7-5-17(6-8-19)29-22(32)16-11-20(15-3-1-9-27-12-15)21(28-13-16)30-10-2-4-18(31)14-30/h1,3,5-9,11-13,18,31H,2,4,10,14H2,(H,29,32)/t18-/m0/s1
InChIKeyHLINSTHZOOXDEN-SFHVURJKSA-N
MW458.44 g/mol
LogP4.26
Rot. Bonds5

About 6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118195096) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is 6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118195096
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCC[C@H](O)C2)c(-c2cccnc2)c1
InChIInChI=1S/C23H21F3N4O3/c24-23(25,26)33-19-7-5-17(6-8-19)29-22(32)16-11-20(15-3-1-9-27-12-15)21(28-13-16)30-10-2-4-18(31)14-30/h1,3,5-9,11-13,18,31H,2,4,10,14H2,(H,29,32)/t18-/m0/s1
InChIKeyHLINSTHZOOXDEN-SFHVURJKSA-N
XLogP4.26
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118195096) is 6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCC[C@H](O)C2)c(-c2cccnc2)c1.
What is the InChIKey of 6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is HLINSTHZOOXDEN-SFHVURJKSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c24-23(25,26)33-19-7-5-17(6-8-19)29-22(32)16-11-20(15-3-1-9-27-12-15)21(28-13-16)30-10-2-4-18(31)14-30/h1,3,5-9,11-13,18,31H,2,4,10,14H2,(H,29,32)/t18-/m0/s1.
What are the key properties of 6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-hydroxypiperidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).