[(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone

C17H17F3N4O2 — CID 164639307

IUPAC[(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC[C@H](Nc2ncccc2C(F)(F)F)[C@@H](O)C1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)11-4-3-8-22-15(11)23-12-6-9-24(10-14(12)25)16(26)13-5-1-2-7-21-13/h1-5,7-8,12,14,25H,6,9-10H2,(H,22,23)/t12-,14-/m0/s1
InChIKeyJMYQSORPRAGECK-JSGCOSHPSA-N
MW366.34 g/mol
LogP2.18
Rot. Bonds3

About [(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone

[(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 164639307) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is [(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID164639307
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name[(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC[C@H](Nc2ncccc2C(F)(F)F)[C@@H](O)C1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)11-4-3-8-22-15(11)23-12-6-9-24(10-14(12)25)16(26)13-5-1-2-7-21-13/h1-5,7-8,12,14,25H,6,9-10H2,(H,22,23)/t12-,14-/m0/s1
InChIKeyJMYQSORPRAGECK-JSGCOSHPSA-N
XLogP2.18
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone (CID 164639307) is [(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CC[C@H](Nc2ncccc2C(F)(F)F)[C@@H](O)C1.
What is the InChIKey of [(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is JMYQSORPRAGECK-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)11-4-3-8-22-15(11)23-12-6-9-24(10-14(12)25)16(26)13-5-1-2-7-21-13/h1-5,7-8,12,14,25H,6,9-10H2,(H,22,23)/t12-,14-/m0/s1.
What are the key properties of [(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone?
[(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 366.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-hydroxy-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 164639307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).